data_2l0p_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 2l0p _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.722 0.296 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.79 -36.63 79.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.528 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -48.6 81.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.319 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -71.5 -31.76 67.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.571 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.6 m -69.39 -35.04 75.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.41 -44.66 76.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.492 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.2 mmm -68.47 -35.85 78.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.26 -34.88 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.665 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.1 m -61.63 -36.8 81.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.5 mm? -65.55 -31.4 72.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.415 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.8 mm -70.16 -44.78 77.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.924 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -59.95 -55.78 29.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -58.93 -43.67 89.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.74 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.486 ' O ' ' OG ' ' A' ' 19' ' ' SER . 84.4 t80 -59.38 -36.91 76.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.676 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 19' ' ' SER . 3.0 t-80 -70.98 -59.51 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.762 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.48 -34.46 0.84 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.872 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -87.54 -21.16 25.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 16' ' ' HIS . 51.6 m -72.53 -8.38 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.567 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.38 -2.13 89.16 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -65.32 -110.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.435 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -79.83 -29.89 40.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.478 ' O ' ' OD1' ' A' ' 24' ' ' ASP . . . -68.69 -144.32 0.13 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' A' ' 23' ' ' GLY . 97.0 m-20 -140.02 -61.85 0.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.751 0.31 . . . . 0.0 110.575 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -139.84 -64.65 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.46 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -97.54 1.88 49.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.405 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -99.82 139.59 35.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.678 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.575 ' N ' ' OE2' ' A' ' 68' ' ' GLU . 37.1 tp -150.29 126.47 10.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.391 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.1 p -70.97 147.0 49.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -37.47 86.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.386 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -56.91 -39.91 75.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.637 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -80.28 -40.9 25.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.29 -34.5 78.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.709 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -52.14 -44.51 64.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.565 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.489 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.7 mt-10 -79.62 -27.56 41.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.169 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.1 tp -58.55 -56.35 23.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.759 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.414 ' HG ' ' H ' ' A' ' 38' ' ' GLN . 3.0 pp -50.82 -47.43 60.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.572 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.414 ' H ' ' HG ' ' A' ' 37' ' ' LEU . 14.6 pt20 -76.39 -25.44 54.55 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.314 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.489 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 33.6 m -66.82 -39.47 87.71 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.337 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.585 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 2.8 mp0 -91.05 -26.89 18.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.013 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.54 43.7 2.01 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.825 0.345 . . . . 0.0 110.192 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -68.26 -27.36 66.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.79 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.97 -49.38 16.95 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.542 ' C ' ' H ' ' A' ' 46' ' ' ASP . 11.6 m-85 -49.36 -61.62 1.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.698 0.285 . . . . 0.0 110.734 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 pp -55.06 -4.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.683 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' A' ' 44' ' ' PHE . 14.0 t0 -104.29 -20.21 13.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.556 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.04 -2.94 26.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.88 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.582 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 2.1 pp0? -96.65 129.5 44.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.852 0.358 . . . . 0.0 110.637 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -94.13 -15.38 24.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.477 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.582 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 65.3 m-20 -64.92 101.86 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.643 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.4 t -75.44 -31.7 24.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -71.95 -36.07 69.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.658 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.22 -51.35 69.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.653 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.22 -34.01 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.59 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.7 -42.52 93.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -62.64 -41.98 99.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.64 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -72.4 -30.47 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.761 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.9 ttt -70.86 -51.43 26.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.334 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -66.59 -31.65 72.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.619 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -52.87 -30.79 35.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.466 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.07 -39.94 95.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -69.76 -27.39 64.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -68.01 -40.99 82.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.532 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.576 ' C ' ' H ' ' A' ' 66' ' ' ASP . 70.3 m-80 -103.69 30.99 4.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.538 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -59.93 2.84 0.35 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.576 ' H ' ' C ' ' A' ' 64' ' ' ASN . 21.9 t70 -37.78 -24.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 110.41 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 108.01 -3.5 33.63 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.575 ' OE2' ' N ' ' A' ' 28' ' ' LEU . 6.9 tp10 -153.2 132.03 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.413 . . . . 0.0 110.814 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.418 ' CG1' ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.69 -153.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.81 179.582 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.418 ' H ' ' CG1' ' A' ' 69' ' ' VAL . 59.3 t0 -148.71 140.56 23.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.028 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -48.49 -49.23 36.65 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.452 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -52.6 -36.12 55.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.232 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -75.74 -30.68 59.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.704 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -64.21 -40.04 95.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.843 0.354 . . . . 0.0 110.759 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.9 -30.64 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.237 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.47 -38.36 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.59 -35.57 45.58 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.114 -0.635 . . . . 0.0 111.847 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.7 m -60.38 -40.21 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.261 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.72 -41.5 60.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.622 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.02 -29.02 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.686 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.6 mt -75.19 -39.21 60.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.726 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.4 m -64.68 -54.65 28.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.747 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.474 ' C ' ' H ' ' A' ' 85' ' ' CYS . 11.1 p -57.37 -25.79 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.546 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.87 20.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.557 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.474 ' H ' ' C ' ' A' ' 83' ' ' VAL . 40.8 t -141.99 -42.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -53.07 -31.62 42.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.663 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -46.72 -28.68 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.586 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.3 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.607 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.729 0.299 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.83 -36.67 79.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.91 -48.6 81.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.39 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -71.51 -31.73 67.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.529 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 32.6 m -69.39 -35.15 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.726 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.19 -44.67 75.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.606 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 66.2 mmm -68.57 -35.94 78.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.483 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.22 -34.94 64.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.625 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.5 m -61.55 -36.85 81.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.5 mm? -65.48 -31.46 72.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.431 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 14.7 mm -70.21 -44.68 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.929 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -60.2 -55.55 32.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.03 -43.57 89.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.764 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.477 ' O ' ' OG ' ' B' ' 19' ' ' SER . 84.6 t80 -59.16 -37.15 76.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.772 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.532 ' O ' ' N ' ' B' ' 19' ' ' SER . 3.0 t-80 -71.02 -59.58 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.633 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.33 -34.55 0.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.925 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -87.49 -21.17 25.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.779 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.532 ' N ' ' O ' ' B' ' 16' ' ' HIS . 51.9 m -72.61 -8.39 55.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.487 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.23 -2.18 89.32 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -65.27 -110.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.557 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -79.76 -30.0 40.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.415 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.477 ' O ' ' OD1' ' B' ' 24' ' ' ASP . . . -68.73 -144.2 0.13 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.477 ' OD1' ' O ' ' B' ' 23' ' ' GLY . 97.0 m-20 -140.01 -61.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.359 . . . . 0.0 110.485 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -139.8 -64.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -97.6 2.01 49.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.371 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -99.88 139.62 35.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.65 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.585 ' N ' ' OE2' ' B' ' 68' ' ' GLU . 36.4 tp -150.32 126.4 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.422 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.8 p -71.0 146.79 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.972 0.415 . . . . 0.0 111.02 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -37.37 86.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.458 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -57.07 -39.8 75.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.649 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -80.28 -40.9 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.31 -34.54 78.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.65 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -52.05 -44.59 64.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.526 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' B' ' 39' ' ' THR . 96.7 mt-10 -79.64 -27.38 40.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.257 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 45.4 tp -58.71 -56.36 23.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.744 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.423 ' HG ' ' H ' ' B' ' 38' ' ' GLN . 3.0 pp -50.68 -47.6 58.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.594 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.423 ' H ' ' HG ' ' B' ' 37' ' ' LEU . 14.6 pt20 -76.29 -25.44 54.86 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.383 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 33.1 m -66.7 -39.71 88.18 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.336 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.588 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 2.7 mp0 -90.99 -26.79 19.05 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.008 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.62 43.67 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.209 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.1 p -68.28 -27.45 66.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.76 -49.52 17.58 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.561 ' C ' ' H ' ' B' ' 46' ' ' ASP . 11.5 m-85 -49.35 -61.58 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.675 0.274 . . . . 0.0 110.723 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 pp -55.15 -4.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.678 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.561 ' H ' ' C ' ' B' ' 44' ' ' PHE . 14.0 t0 -104.25 -20.3 13.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.638 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.86 -3.11 26.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.581 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 2.1 pp0? -96.57 129.34 43.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.637 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -94.06 -15.41 24.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.581 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 65.6 m-20 -65.01 102.04 0.57 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.452 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 96.4 t -75.36 -31.9 24.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.5 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -71.87 -35.93 69.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.669 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.39 -51.4 69.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.619 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.15 -34.12 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.571 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.57 -42.63 92.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.551 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -62.52 -42.0 99.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.654 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 62.0 t -72.5 -30.47 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.592 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.9 ttt -70.87 -51.33 27.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.43 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -66.57 -31.7 72.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.563 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -52.78 -30.87 35.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.387 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.17 -39.82 94.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.612 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -69.81 -27.45 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.639 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -67.96 -40.98 83.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.561 ' C ' ' H ' ' B' ' 66' ' ' ASP . 70.3 m-80 -103.72 31.03 4.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.53 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.574 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -60.05 2.99 0.35 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.561 ' H ' ' C ' ' B' ' 64' ' ' ASN . 21.7 t70 -37.79 -24.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.467 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 107.89 -3.16 33.79 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.585 ' OE2' ' N ' ' B' ' 28' ' ' LEU . 7.0 tp10 -153.29 132.06 12.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.378 . . . . 0.0 110.69 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.408 ' CG1' ' H ' ' B' ' 70' ' ' ASP . 0.7 OUTLIER -93.81 -153.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.558 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.408 ' H ' ' CG1' ' B' ' 69' ' ' VAL . 59.5 t0 -149.25 140.64 23.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.877 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -48.54 -49.24 37.09 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.413 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -52.51 -36.23 54.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.257 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -75.6 -30.79 59.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.689 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -64.19 -40.08 95.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.798 0.332 . . . . 0.0 110.781 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.84 -30.58 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.64 -38.3 30.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.54 -35.6 45.91 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.921 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 29.3 m -60.32 -40.23 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.348 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.75 -41.31 60.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.734 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.16 -28.94 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.62 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 77.4 mt -75.2 -39.24 60.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.72 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 81.4 m -64.69 -54.74 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.643 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.468 ' C ' ' H ' ' B' ' 85' ' ' CYS . 11.2 p -57.33 -25.78 24.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.84 20.74 0.23 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.468 ' H ' ' C ' ' B' ' 83' ' ' VAL . 41.1 t -141.89 -42.86 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -52.97 -31.65 41.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.635 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -46.62 -28.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.497 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.3 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.485 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.807 0.337 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -52.19 -31.07 30.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.472 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 0.3 OUTLIER -71.36 -48.54 49.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.407 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.98 -35.25 80.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.59 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.8 p -69.36 -34.78 75.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.698 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.04 -37.04 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.69 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.0 mmm -75.58 -38.47 59.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.457 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -54.64 -35.34 63.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.671 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.1 m -58.89 -41.04 86.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.752 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -63.31 -31.3 72.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.483 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.454 HG23 HD12 ' A' ' 12' ' ' ILE . 15.2 mm -70.89 -38.67 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -59.78 -55.06 38.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.779 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.65 -37.25 75.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.52 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.479 ' O ' ' OG ' ' A' ' 19' ' ' SER . 61.6 t80 -60.73 -46.08 91.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.56 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -77.35 -18.07 57.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.678 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.74 -35.76 65.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.697 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -92.55 -13.33 29.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 48.6 m -74.77 3.65 7.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.56 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.63 3.74 71.79 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -82.31 -75.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.61 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -112.63 -42.9 3.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.623 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.63 165.53 3.87 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -86.06 -59.37 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.627 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -145.17 -69.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.446 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.27 -3.58 57.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.127 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -92.13 146.59 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.623 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.7 tp -144.04 122.11 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.454 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -62.96 147.87 49.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.574 ' HZ1' ' CA ' ' A' ' 61' ' ' LEU . 26.4 tptp -68.2 -40.57 82.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.415 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.85 -37.14 70.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.849 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -81.51 -31.68 32.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.545 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 tt -72.13 -39.14 69.02 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.819 0.304 . . . . 0.0 111.819 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 10.4 ptmm? -51.34 -40.54 59.31 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.841 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.494 ' O ' ' OG1' ' A' ' 39' ' ' THR . 91.2 mt-10 -79.66 -31.97 41.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 tp -55.58 -56.2 23.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.924 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.422 ' HG ' ' H ' ' A' ' 38' ' ' GLN . 3.0 pp -50.47 -48.21 56.76 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.016 -0.273 . . . . 0.0 111.545 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.422 ' H ' ' HG ' ' A' ' 37' ' ' LEU . 20.5 pt20 -75.22 -25.68 58.35 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.066 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 57.3 m -65.76 -38.48 89.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.062 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.47 ' OE1' ' CB ' ' B' ' 4' ' ' LEU . 63.6 mm-40 -92.17 -26.71 18.1 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.069 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.3 mp -114.69 45.01 1.64 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 0.0 110.426 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -68.41 -27.42 66.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.32 -52.46 5.6 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.563 ' C ' ' H ' ' A' ' 46' ' ' ASP . 12.9 m-85 -46.93 -63.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.656 0.265 . . . . 0.0 110.864 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 pp -53.79 -4.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.718 0.294 . . . . 0.0 110.9 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.563 ' H ' ' C ' ' A' ' 44' ' ' PHE . 5.4 t70 -105.61 -20.84 13.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.791 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.94 -2.96 33.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.956 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.0 pp0? -93.16 139.19 30.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 110.773 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -103.48 -12.15 17.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.491 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.507 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 83.9 m-20 -71.31 98.16 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.96 -27.68 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.568 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -73.5 -37.29 65.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.707 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.81 -51.41 68.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.681 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.3 p -66.0 -32.27 57.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.48 -47.68 81.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -62.13 -37.21 84.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.63 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -76.37 -30.6 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.83 -51.6 21.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -63.2 -31.82 73.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.486 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' OE2' ' ND2' ' A' ' 64' ' ' ASN . 44.5 tp10 -53.15 -33.69 53.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.616 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.574 ' CA ' ' HZ1' ' A' ' 30' ' ' LYS . 59.5 mt -62.16 -36.24 81.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.654 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -74.71 -27.86 60.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -78.15 -41.23 35.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.767 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.552 ' C ' ' H ' ' A' ' 66' ' ' ASP . 32.1 m-80 -88.97 24.26 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.62 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.13 24.25 0.71 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.552 ' H ' ' C ' ' A' ' 64' ' ' ASN . 52.8 m-20 -58.94 -44.81 91.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.804 0.335 . . . . 0.0 110.628 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.0 -27.12 2.31 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -146.75 132.35 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 110.427 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.43 -154.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -143.29 138.87 29.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.044 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.42 ' CZ ' ' CD1' ' A' ' 12' ' ' ILE . 33.3 t80 -48.73 -48.03 40.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 110.646 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -51.77 -35.69 44.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.477 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.87 -30.88 59.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.691 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -64.37 -39.27 93.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.971 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -75.74 -30.99 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.64 -39.12 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.31 -35.09 48.23 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.983 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.7 m -60.96 -42.88 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.44 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.98 -39.31 66.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.8 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.36 -27.9 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.366 . . . . 0.0 110.68 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -75.31 -37.43 60.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.8 m -64.91 -54.76 25.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.78 -38.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.707 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.16 -13.49 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.693 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.9 t -97.05 -50.97 4.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.731 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.501 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 0.7 OUTLIER -47.03 -39.35 12.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.64 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -47.22 -24.31 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.599 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.7 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.84 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.789 0.328 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -52.33 -30.83 30.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.672 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.47 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 0.3 OUTLIER -71.45 -48.37 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.498 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.28 -35.2 80.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 40.6 p -69.37 -34.67 74.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -37.05 66.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.671 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.8 mmm -75.52 -38.51 59.34 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.532 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -54.58 -35.34 63.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.678 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.3 m -58.89 -40.98 86.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.7 mm? -63.29 -31.38 72.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.474 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.429 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 15.1 mm -70.81 -38.68 73.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -59.88 -55.08 38.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.746 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.57 -37.2 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.676 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.476 ' O ' ' OG ' ' B' ' 19' ' ' SER . 61.7 t80 -60.77 -46.06 91.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.487 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -77.46 -17.96 57.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.621 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.82 -35.79 64.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.573 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -92.64 -13.17 29.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.637 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 48.2 m -74.83 3.7 7.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.621 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.6 3.73 71.89 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -82.3 -75.26 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.842 0.354 . . . . 0.0 110.683 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -112.71 -42.83 3.54 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.645 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 165.6 3.9 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -86.07 -59.37 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.738 0.304 . . . . 0.0 110.625 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -145.22 -69.62 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.447 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.23 -3.54 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.099 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -92.2 146.53 23.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.517 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 tp -144.02 122.16 12.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -62.89 147.94 48.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.579 ' HZ1' ' CA ' ' B' ' 61' ' ' LEU . 26.3 tptp -68.19 -40.55 82.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.458 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.414 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.82 -37.31 71.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.614 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -81.39 -31.59 33.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.655 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 tt -72.24 -38.96 68.8 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.443 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 10.3 ptmm? -51.42 -40.48 59.43 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.791 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.484 ' O ' ' OG1' ' B' ' 39' ' ' THR . 91.0 mt-10 -79.83 -31.84 40.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.051 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 31.9 tp -55.45 -56.3 21.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.888 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.429 ' HG ' ' H ' ' B' ' 38' ' ' GLN . 3.0 pp -50.55 -48.26 57.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.449 -178.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.429 ' H ' ' HG ' ' B' ' 37' ' ' LEU . 20.5 pt20 -75.12 -25.71 58.66 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.14 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 56.1 m -65.65 -38.54 89.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.09 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.472 ' OE1' ' CB ' ' A' ' 4' ' ' LEU . 63.5 mm-40 -92.13 -26.84 18.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.092 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.3 mp -114.65 45.11 1.62 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.393 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -68.33 -27.54 66.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.34 -52.27 5.69 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.557 ' C ' ' H ' ' B' ' 46' ' ' ASP . 13.1 m-85 -47.0 -63.88 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.733 0.302 . . . . 0.0 110.91 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 pp -53.95 -4.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.843 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.557 ' H ' ' C ' ' B' ' 44' ' ' PHE . 5.4 t70 -105.63 -20.94 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.684 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.97 -2.84 33.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.039 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.492 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 2.9 pp0? -93.34 139.33 30.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 110.78 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -103.56 -12.26 17.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.483 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.492 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 83.4 m-20 -71.11 98.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.675 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.7 t -71.13 -27.44 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.539 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -73.69 -37.4 65.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.628 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.5 -51.7 67.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.663 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.85 -32.25 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.59 -47.52 81.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.57 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -62.31 -37.25 84.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.505 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 75.6 t -76.19 -30.68 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.64 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.6 ttt -71.86 -51.42 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.461 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -63.3 -31.66 72.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.6 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.42 ' OE2' ' ND2' ' B' ' 64' ' ' ASN . 44.6 tp10 -53.31 -33.69 54.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.579 ' CA ' ' HZ1' ' B' ' 30' ' ' LYS . 59.2 mt -62.07 -36.39 81.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.542 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -74.74 -27.7 60.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.81 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -78.34 -41.02 34.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.746 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.558 ' C ' ' H ' ' B' ' 66' ' ' ASP . 32.1 m-80 -89.03 24.27 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.576 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.12 24.2 0.71 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.558 ' H ' ' C ' ' B' ' 64' ' ' ASN . 53.0 m-20 -58.88 -44.75 91.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.677 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 141.76 -26.71 2.37 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -146.85 132.26 18.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.302 . . . . 0.0 110.469 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -93.47 -154.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.018 0.437 . . . . 0.0 110.829 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -143.07 138.89 30.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.121 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.429 ' CZ ' ' CD1' ' B' ' 12' ' ' ILE . 33.4 t80 -48.61 -48.15 39.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.614 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -51.71 -35.83 44.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.402 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -75.76 -30.95 59.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.703 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -64.31 -39.3 93.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.948 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.3 m -75.77 -30.95 21.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.66 -39.17 31.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.44 -35.02 47.4 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.106 -0.637 . . . . 0.0 111.919 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.4 m -60.94 -42.89 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.499 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.06 -39.29 66.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.37 -27.78 2.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.683 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -75.43 -37.36 60.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.698 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 86.0 m -64.94 -54.75 25.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.776 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.78 -38.59 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.733 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.97 -13.5 46.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.808 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.9 t -97.05 -50.97 4.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.763 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.509 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 0.7 OUTLIER -47.19 -39.2 13.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.682 -179.776 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -47.2 -24.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.503 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.354 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.853 0.358 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.02 -41.51 98.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.616 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 2.9 tm? -60.09 -48.56 81.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.223 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.77 -36.3 80.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.8 m -64.86 -34.98 79.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.479 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.45 -46.72 76.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.652 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.9 mmm -64.02 -41.13 97.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.517 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 22.8 tt0 -53.81 -35.16 61.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.418 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m -59.24 -47.03 86.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.601 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.5 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 4.0 mm? -53.0 -31.31 40.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.416 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -71.01 -43.57 76.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.7 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 5.1 m-80 -59.99 -55.67 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.906 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.4 p -59.33 -40.78 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.617 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.478 ' O ' ' OG ' ' A' ' 19' ' ' SER . 79.0 t80 -63.26 -42.48 99.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.664 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -76.56 -20.76 56.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.772 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.77 -43.34 55.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.783 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -85.59 -9.15 57.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.825 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 41.0 m -72.42 -20.98 61.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.702 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.9 -14.73 61.43 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -58.58 -108.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.759 0.314 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -78.15 -36.87 47.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.671 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.95 174.19 46.89 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.562 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 20.4 p-10 -86.19 -68.03 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.747 0.308 . . . . 0.0 110.624 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.562 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 51.2 mttm -148.17 -50.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.02 -17.27 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.177 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -90.04 143.03 27.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.63 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -140.78 122.98 15.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.411 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.0 p -75.16 144.7 42.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' HZ2' ' CB ' ' A' ' 64' ' ' ASN . 36.2 tptt -67.99 -29.53 68.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.419 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -56.55 -44.42 80.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.913 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -80.42 -28.69 37.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.944 0.402 . . . . 0.0 110.614 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.457 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 2.5 tm? -53.42 -51.14 63.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.01 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 11.2 ptmm? -51.25 -38.06 50.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.792 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.473 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.3 mt-10 -78.79 -27.33 44.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.91 -56.25 12.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.752 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.95 -49.48 63.1 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.394 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.438 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 15.2 pt20 -67.41 -25.82 66.13 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.722 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 30.0 m -75.74 -35.83 60.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.198 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -93.91 -26.85 16.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.355 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 mp -118.44 45.97 1.91 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.854 0.359 . . . . 0.0 110.522 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -68.12 -27.54 66.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.37 -53.44 5.57 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -45.16 -66.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.628 0.251 . . . . 0.0 110.814 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 pp -52.33 -16.71 0.91 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.127 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -80.36 -48.16 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 110.608 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.98 39.24 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.494 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.481 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -102.26 134.59 45.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.653 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -108.95 -6.2 15.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -91.8 104.43 16.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.57 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -80.4 -28.77 11.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.634 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -74.52 -37.48 63.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.735 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.84 -51.19 67.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.691 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 p -64.54 -36.84 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.691 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -56.95 -47.14 81.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.604 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.56 -37.66 88.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.532 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.68 -30.45 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ttm -70.21 -51.53 30.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.09 -31.68 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.442 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -54.41 -34.43 61.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.99 -36.9 75.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -74.67 -27.88 60.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -69.14 -41.35 77.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.563 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.442 ' C ' ' H ' ' A' ' 66' ' ' ASP . 41.7 m-80 -100.58 33.04 2.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.517 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.51 18.52 4.51 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 64' ' ' ASN . 70.7 m-20 -51.6 -44.79 62.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 110.436 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.94 -16.54 3.25 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -142.94 132.89 24.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.983 0.421 . . . . 0.0 110.384 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.45 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -92.43 -154.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.197 -179.431 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 69' ' ' VAL . 62.6 m-20 -153.09 142.92 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.034 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -48.51 -52.95 19.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.743 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -56.08 -33.34 64.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.695 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.72 -30.8 59.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.184 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -72.1 -40.78 67.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.935 0.398 . . . . 0.0 111.125 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.0 m -74.88 -27.8 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.9 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.26 -39.51 35.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.32 -34.68 48.46 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.995 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -62.44 -43.94 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.417 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.03 -35.85 72.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.811 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.04 -31.65 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.58 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.66 -30.9 59.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.546 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.0 m -69.84 -55.74 8.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.9 p -58.44 -31.05 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.746 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.14 -22.54 66.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.594 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -94.36 -39.31 10.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -54.85 -41.39 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.718 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -47.68 -24.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.631 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 t80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.781 0.324 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.11 -41.43 98.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.515 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 2.9 tm? -60.09 -48.69 80.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.167 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.68 -36.43 80.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.501 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 25.4 m -64.74 -35.0 79.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.509 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.5 -46.74 76.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.6 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 51.5 mmm -64.02 -41.09 97.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.462 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.519 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 23.0 tt0 -53.76 -35.16 60.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.507 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.0 m -59.29 -46.89 87.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.683 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 4.0 mm? -53.05 -31.31 40.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.466 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.427 HD13 HG23 ' B' ' 12' ' ' ILE . 12.2 mm -71.0 -43.64 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.7 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 5.1 m-80 -59.97 -55.66 31.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.4 p -59.29 -40.77 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.689 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.482 ' O ' ' OG ' ' B' ' 19' ' ' SER . 78.9 t80 -63.37 -42.33 98.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.651 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -76.53 -20.82 56.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.766 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.72 -43.33 55.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.804 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -85.55 -9.09 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.921 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 41.8 m -72.49 -21.09 61.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.619 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.84 -14.8 61.41 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -58.62 -108.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.682 0.277 . . . . 0.0 110.464 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -78.13 -36.87 47.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.66 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.92 174.27 46.7 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.573 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 20.0 p-10 -86.19 -68.07 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.33 . . . . 0.0 110.562 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.573 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 51.1 mttm -148.16 -50.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.621 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.03 -17.31 22.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.195 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -89.89 143.05 27.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.741 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.3 tp -140.82 123.02 15.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.9 p -75.25 144.84 42.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.004 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.426 ' HZ2' ' CB ' ' B' ' 64' ' ' ASN . 36.2 tptt -68.12 -29.54 68.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.328 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -56.46 -44.62 80.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.837 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -80.46 -28.41 37.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.915 0.388 . . . . 0.0 110.69 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.457 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.5 tm? -53.5 -51.29 63.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.913 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 11.2 ptmm? -51.22 -37.99 49.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.745 0.307 . . . . 0.0 110.692 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.461 ' O ' ' OG1' ' B' ' 39' ' ' THR . 96.3 mt-10 -78.89 -27.23 43.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.736 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 21.9 tp -66.04 -56.1 13.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.757 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.436 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -52.14 -49.45 63.68 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.419 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.436 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 15.2 pt20 -67.42 -25.62 66.02 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.824 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 29.5 m -75.83 -35.87 59.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -93.85 -26.83 16.75 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.343 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 mp -118.37 45.93 1.91 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.774 0.321 . . . . 0.0 110.415 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 84.7 p -68.37 -27.24 66.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.46 -53.44 5.53 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.344 -0.703 . . . . 0.0 111.344 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -45.3 -66.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.862 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -52.19 -16.9 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.165 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -80.3 -48.21 13.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.675 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.87 39.41 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.449 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.485 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -102.4 134.57 45.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.568 -179.781 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -108.93 -6.3 15.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.469 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -91.65 104.41 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 68.5 t -80.36 -28.87 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.638 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -74.57 -37.38 62.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.69 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.81 -51.22 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 p -64.63 -36.7 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.693 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -57.04 -47.05 81.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.62 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -63.56 -37.73 88.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.549 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 87.7 t -74.54 -30.57 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.66 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ttm -70.25 -51.43 30.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -31.66 72.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.543 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -54.46 -34.4 61.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.557 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.02 -36.71 75.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -74.81 -27.8 60.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.629 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.19 -41.48 77.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.392 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.443 ' C ' ' H ' ' B' ' 66' ' ' ASP . 41.7 m-80 -100.4 32.84 2.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.474 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.27 18.4 4.34 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.443 ' H ' ' C ' ' B' ' 64' ' ' ASN . 70.8 m-20 -51.54 -44.76 62.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 139.1 -17.35 3.18 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -141.62 133.28 27.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.446 ' O ' ' OD1' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -93.58 -154.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.994 -179.457 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 69' ' ' VAL . 62.6 m-20 -153.19 143.05 22.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.036 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -48.61 -53.02 20.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.783 0.325 . . . . 0.0 110.681 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -55.93 -33.46 64.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.771 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -75.75 -30.72 59.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.159 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -72.13 -40.72 67.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.833 0.349 . . . . 0.0 111.106 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.6 m -74.91 -27.68 20.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.022 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.25 -39.55 35.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.35 -34.64 48.32 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.978 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -62.4 -44.13 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.409 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.86 -35.81 72.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.08 -31.67 52.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.586 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -75.51 -31.16 60.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.475 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -69.85 -55.77 8.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.8 p -58.23 -31.18 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.15 -22.46 66.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.618 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -94.29 -39.36 10.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.614 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -54.93 -41.34 70.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.716 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -47.73 -24.38 0.93 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.712 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.834 0.35 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.72 -34.39 74.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.613 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.513 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 2.9 tm? -56.72 -48.46 77.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.03 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.52 -33.13 74.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.317 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.4 m -67.58 -35.12 78.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.487 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.33 -45.55 80.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.466 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.8 mmm -64.31 -37.12 86.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.371 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -55.31 -38.52 68.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.5 m -57.28 -43.83 83.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.664 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -57.16 -31.17 65.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.547 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.409 HG22 HD12 ' A' ' 12' ' ' ILE . 15.5 mm -70.58 -41.77 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.732 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -62.02 -55.56 27.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.24 -38.08 80.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.679 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -61.94 -38.0 86.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.725 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -88.73 -18.05 28.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.777 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.67 -35.53 77.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.779 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -93.59 -7.75 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.755 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.472 ' O ' ' O ' ' A' ' 23' ' ' GLY . 69.7 m -74.41 -10.43 59.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.77 -17.72 79.59 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -55.38 -73.57 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 110.647 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -117.16 -56.37 2.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 19' ' ' SER . . . -52.64 158.93 3.4 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -71.77 -64.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.616 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -145.58 -72.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.435 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -77.47 -5.89 51.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.267 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -94.81 138.69 32.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -143.8 123.83 13.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.264 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.4 p -68.81 142.65 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -66.65 -32.49 73.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.478 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -57.54 -42.73 83.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.666 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -80.77 -28.24 36.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.014 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.516 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 3.2 tm? -60.84 -51.32 69.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.762 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -51.82 -34.76 41.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.636 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 39' ' ' THR . 92.4 mt-10 -78.65 -27.29 45.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.517 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.6 tp -72.43 -56.25 5.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.368 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.478 ' CD1' ' C ' ' A' ' 37' ' ' LEU . 1.4 pp -50.84 -39.83 54.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.285 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -76.97 -25.99 53.41 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 50.5 m -75.85 -37.34 59.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.45 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -88.07 -26.98 22.25 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.411 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.33 44.41 2.46 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.847 0.356 . . . . 0.0 110.342 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.492 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 52.0 p -68.43 -27.92 66.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.76 -50.6 10.88 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.448 ' C ' ' H ' ' A' ' 46' ' ' ASP . 19.1 m-85 -49.45 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.587 0.232 . . . . 0.0 110.869 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.82 -8.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.319 . . . . 0.0 110.772 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' OD2' ' O ' ' A' ' 42' ' ' SER . 29.9 m-20 -105.8 -11.4 16.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.589 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.56 -2.97 14.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.571 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.3 pp0? -101.15 133.93 44.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.619 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -94.92 -9.75 33.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.571 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 49.9 m-20 -68.01 102.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.5 t -79.4 -29.74 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -71.36 -36.93 71.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.674 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.16 -51.45 67.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.762 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.1 -31.85 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.695 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -55.18 -48.26 74.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.743 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.55 -36.08 81.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.611 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.5 t -73.75 -30.56 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.685 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.2 ttt -74.3 -51.65 14.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.753 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -62.09 -32.49 73.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.55 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.436 ' C ' ' OE1' ' A' ' 60' ' ' GLU . 13.6 tm-20 -55.66 -33.67 64.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.42 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.9 mt -60.88 -37.44 82.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.562 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.87 -28.64 60.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.684 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -75.9 -40.96 53.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.498 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -94.31 44.33 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.522 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -83.26 7.02 69.2 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' GLY . 51.0 t0 -36.94 -28.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.441 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 111.03 -11.23 29.34 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -144.18 132.21 21.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.978 0.418 . . . . 0.0 110.608 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.423 ' CG1' ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.82 -154.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.329 -179.842 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.423 ' H ' ' CG1' ' A' ' 69' ' ' VAL . 70.0 m-20 -152.61 142.35 21.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.966 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -49.11 -49.07 43.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.759 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -58.52 -33.62 70.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 77' ' ' LEU . 68.1 mm-40 -73.59 -30.94 63.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.091 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -69.06 -42.67 75.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.929 0.395 . . . . 0.0 111.132 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.4 m -75.14 -28.0 20.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -39.6 32.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.412 ' CD2' ' O ' ' A' ' 73' ' ' GLU . 2.5 pp -77.9 -35.04 51.14 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.071 -0.651 . . . . 0.0 111.923 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.7 m -61.71 -43.33 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.624 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.97 -40.98 78.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.921 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.34 -30.77 19.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.652 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.38 -33.79 61.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.632 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.7 m -68.46 -55.41 11.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.896 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -53.36 -29.68 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.752 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.67 -26.59 67.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.655 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.7 t -91.1 -53.28 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.775 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -48.98 -38.11 22.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.76 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -54.5 -24.5 20.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.694 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.773 -179.909 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.791 0.329 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.71 -34.25 74.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.627 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.516 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 2.9 tm? -56.84 -48.4 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.32 -33.26 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.466 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 27.6 m -67.62 -35.02 78.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.461 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.4 -45.55 80.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.7 mmm -64.34 -37.12 86.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.312 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -55.26 -38.56 68.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.5 m -57.25 -43.83 83.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.652 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -57.33 -31.15 65.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.434 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -70.45 -41.89 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -61.89 -55.47 29.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.31 -38.14 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.695 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -62.0 -37.87 86.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.719 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -88.91 -17.94 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.763 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.65 -35.53 77.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.711 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -93.68 -7.67 43.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.729 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.46 ' O ' ' O ' ' B' ' 23' ' ' GLY . 68.8 m -74.49 -10.32 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.614 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.85 -17.64 79.64 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -55.41 -73.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.643 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -117.28 -56.35 2.24 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.514 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' B' ' 19' ' ' SER . . . -52.69 158.93 3.44 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -71.81 -64.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.561 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -145.6 -72.52 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.466 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -77.54 -5.97 51.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.259 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -94.74 138.67 32.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.591 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -143.68 123.85 13.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.226 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.9 p -68.75 142.52 54.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.4 tptt -66.46 -32.61 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.434 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -57.52 -42.76 83.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.683 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -80.64 -28.34 36.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.06 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.517 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 3.2 tm? -60.78 -51.32 69.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.785 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -51.83 -34.86 42.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.572 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.449 ' O ' ' OG1' ' B' ' 39' ' ' THR . 92.5 mt-10 -78.66 -27.3 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.47 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 19.8 tp -72.32 -56.25 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.449 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' B' ' 37' ' ' LEU . 1.4 pp -50.9 -39.8 55.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.171 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -77.01 -25.9 53.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 111.081 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 50.3 m -75.97 -37.19 58.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.418 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -88.2 -26.97 22.11 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.344 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.28 44.29 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.294 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.492 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 51.9 p -68.28 -27.94 66.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.748 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.85 -50.43 11.12 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.457 ' C ' ' H ' ' B' ' 46' ' ' ASP . 19.3 m-85 -49.44 -65.35 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.643 0.258 . . . . 0.0 110.907 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.84 -8.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.758 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.492 ' OD2' ' O ' ' B' ' 42' ' ' SER . 29.9 m-20 -105.78 -11.44 16.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.614 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.65 -2.94 14.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.57 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.3 pp0? -101.11 134.01 44.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.619 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -95.0 -9.67 33.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.608 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.57 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 50.0 m-20 -68.1 102.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.582 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -79.36 -29.72 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.657 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -71.28 -36.99 71.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.33 68.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.742 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.12 -31.96 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.589 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -55.14 -48.22 73.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.54 -36.02 81.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.657 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.84 -30.44 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.716 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.3 ttt -74.31 -51.73 14.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.72 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -62.21 -32.3 72.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.584 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.441 ' OE1' ' C ' ' B' ' 60' ' ' GLU . 13.7 tm-20 -55.82 -33.56 64.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.38 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.99 -37.39 82.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.558 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -74.85 -28.54 60.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.75 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -75.95 -41.06 52.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.399 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -94.28 44.4 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.064 0.459 . . . . 0.0 110.602 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -83.18 6.77 70.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' B' ' 65' ' ' GLY . 51.0 t0 -36.93 -28.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.396 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 110.95 -11.44 29.49 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -143.68 132.54 22.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.6 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.421 ' CG1' ' H ' ' B' ' 70' ' ' ASP . 0.7 OUTLIER -94.41 -153.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.045 -179.565 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.421 ' H ' ' CG1' ' B' ' 69' ' ' VAL . 70.1 m-20 -152.66 142.35 21.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.994 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -49.0 -49.27 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.71 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -58.44 -33.67 69.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' B' ' 77' ' ' LEU . 68.4 mm-40 -73.42 -30.94 63.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.211 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -69.27 -42.67 75.23 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.878 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.9 m -75.22 -27.93 20.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.68 -39.51 31.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 N-CA-C 112.567 0.581 . . . . 0.0 112.567 -178.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.406 ' CD2' ' O ' ' B' ' 73' ' ' GLU . 2.5 pp -77.88 -35.2 51.12 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.906 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 31.6 m -61.59 -43.28 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.664 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.26 -40.81 77.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.32 -30.76 19.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.704 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.49 -33.72 60.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.634 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 78.5 m -68.54 -55.52 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.7 p -53.27 -29.72 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.662 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.58 -26.69 67.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.658 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -90.88 -53.4 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -49.03 -38.08 22.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.77 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -54.44 -24.35 19.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.817 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 51.6 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.846 -179.873 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.69 0.281 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -53.59 -36.44 61.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.516 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 2.8 tm? -60.59 -48.18 82.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.219 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.04 -34.33 77.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.6 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 m -65.43 -34.79 79.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.04 -44.41 82.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.503 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.5 mmm -64.83 -40.89 95.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.529 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -54.19 -33.95 59.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.543 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.6 m -60.63 -45.88 92.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.697 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -54.8 -31.16 58.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.512 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 mm -71.43 -43.25 72.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.673 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -59.83 -55.55 32.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.699 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.3 -35.19 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.498 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -61.02 -51.76 67.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.667 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -72.93 -19.9 61.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.662 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.42 84.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.656 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.401 ' CD2' ' CD1' ' A' ' 36' ' ' LEU . 55.0 m-70 -93.75 -14.67 25.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.75 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.6 m -63.88 -21.09 66.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.616 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.21 -17.81 77.64 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -57.47 -46.76 83.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.588 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' GLY . 68.3 mm-40 -145.72 -64.95 0.32 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 22' ' ' GLU . . . -36.22 145.39 0.08 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -57.2 -57.24 13.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 0.0 110.575 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -154.47 -71.85 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.638 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.13 -19.07 40.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.242 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -80.03 151.97 29.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 tp -150.6 118.85 6.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.445 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.44 151.24 44.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.249 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -69.1 -34.34 74.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.29 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -57.21 -39.99 76.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.609 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -81.69 -37.87 26.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.49 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.88 -42.63 90.07 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.732 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 16.5 ptmt -52.35 -40.0 61.4 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.684 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.49 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.4 mt-10 -80.01 -29.11 39.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.948 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.401 ' CD1' ' CD2' ' A' ' 18' ' ' HIS . 34.9 tp -58.24 -54.29 48.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.872 -178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HG ' ' H ' ' A' ' 38' ' ' GLN . 3.0 pp -50.47 -48.2 56.72 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.322 -178.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.412 ' H ' ' HG ' ' A' ' 37' ' ' LEU . 10.2 pt20 -73.46 -25.83 60.66 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.944 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 95.4 m -70.76 -35.16 72.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.145 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -91.85 -26.89 18.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.244 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mp -113.25 46.87 1.19 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.544 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.3 t -68.33 -27.3 66.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.12 -49.74 9.26 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.559 ' C ' ' H ' ' A' ' 46' ' ' ASP . 22.1 m-85 -52.69 -62.78 1.43 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.776 0.322 . . . . 0.0 110.971 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 3.8 pp -52.27 -6.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.942 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.559 ' H ' ' C ' ' A' ' 44' ' ' PHE . 10.9 t0 -95.16 -39.67 9.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.493 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.16 34.69 2.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.262 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.479 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -98.45 134.27 41.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.644 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -106.74 -12.25 15.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.495 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -92.4 106.08 18.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.617 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.57 -26.11 7.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.482 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -75.52 -31.98 60.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.674 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.38 -51.53 43.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.721 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.34 -33.34 63.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.695 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.73 -49.29 78.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -61.45 -36.76 81.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.2 t -76.86 -30.62 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.759 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.2 ttt -73.71 -51.13 17.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.498 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -62.43 -32.81 73.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.611 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -56.13 -30.89 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.394 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.46 -39.22 92.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.509 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.09 -28.91 64.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.714 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -74.13 -35.52 64.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.532 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.467 ' C ' ' H ' ' A' ' 66' ' ' ASP . 1.9 m-80 -94.97 28.21 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.598 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.88 17.58 2.75 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.467 ' H ' ' C ' ' A' ' 64' ' ' ASN . 94.8 m-20 -49.8 -43.98 48.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.522 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.7 -16.91 3.51 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -148.76 132.08 16.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.919 0.39 . . . . 0.0 110.613 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.423 ' CG1' ' H ' ' A' ' 70' ' ' ASP . 0.4 OUTLIER -92.55 -154.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.537 0.684 . . . . 0.0 111.294 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.423 ' H ' ' CG1' ' A' ' 69' ' ' VAL . 47.3 m-20 -147.14 133.15 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.305 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -48.1 -44.48 31.82 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.454 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -54.83 -37.13 65.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 109.981 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -75.85 -30.72 59.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.544 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.42 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 61.9 t80 -63.63 -39.08 93.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.4 m -75.74 -31.11 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.72 -39.44 31.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.47 -33.68 48.16 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.146 -0.622 . . . . 0.0 112.0 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.42 ' CG1' ' O ' ' A' ' 74' ' ' TYR . 26.9 m -63.31 -43.26 98.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.434 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.62 -36.42 70.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.744 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.21 -32.39 10.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.587 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.5 mt -75.12 -33.35 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.7 m -71.58 -55.2 8.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.61 -25.07 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.07 32.16 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.568 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.0 t -147.57 -53.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -55.94 -31.59 63.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -44.36 -26.55 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.455 -179.8 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.825 0.345 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -53.62 -36.45 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.642 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.518 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 2.8 tm? -60.36 -48.3 82.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.98 -34.39 77.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.583 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.8 m -65.34 -34.98 79.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.74 -44.51 81.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.6 mmm -64.96 -40.84 95.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.451 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -54.13 -34.03 59.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.9 m -60.71 -45.77 92.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.707 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -54.65 -31.29 57.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.522 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 mm -71.39 -43.16 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.777 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -59.92 -55.52 33.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.667 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 p -60.31 -35.04 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.511 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -61.08 -51.84 67.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -72.87 -19.91 61.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.707 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.24 84.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.624 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.414 ' CD2' ' CD1' ' B' ' 36' ' ' LEU . 54.9 m-70 -93.89 -14.74 25.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.679 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 45.3 m -63.8 -21.13 66.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.571 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.26 -17.67 77.62 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -57.58 -46.72 83.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.754 0.311 . . . . 0.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' B' ' 23' ' ' GLY . 68.2 mm-40 -145.69 -65.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' B' ' 22' ' ' GLU . . . -36.22 145.42 0.08 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -57.33 -57.08 14.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.775 0.322 . . . . 0.0 110.655 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -154.51 -71.83 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.623 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.07 -19.22 40.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.288 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -79.99 151.92 29.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.551 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 tp -150.65 118.8 6.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.438 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.43 151.17 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.215 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -68.97 -34.44 75.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.275 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -57.14 -40.0 76.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.623 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -81.72 -37.85 26.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.475 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.84 -42.86 90.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.7 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 16.5 ptmt -52.32 -39.9 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.687 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' B' ' 39' ' ' THR . 96.4 mt-10 -80.07 -29.0 39.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.414 ' CD1' ' CD2' ' B' ' 18' ' ' HIS . 35.0 tp -58.3 -54.16 50.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.963 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.426 ' HG ' ' H ' ' B' ' 38' ' ' GLN . 3.0 pp -50.47 -48.24 56.7 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.341 -178.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.426 ' H ' ' HG ' ' B' ' 37' ' ' LEU . 10.2 pt20 -73.54 -25.76 60.55 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.96 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 95.8 m -70.86 -35.03 72.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.062 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -92.0 -26.67 18.26 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.3 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mp -113.29 46.9 1.19 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.809 0.338 . . . . 0.0 110.518 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.5 t -68.56 -27.18 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.15 -49.71 9.26 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.563 ' C ' ' H ' ' B' ' 46' ' ' ASP . 22.1 m-85 -52.76 -62.68 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 111.025 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.49 ' CD1' ' C ' ' B' ' 45' ' ' LEU . 3.8 pp -52.37 -6.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.971 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.563 ' H ' ' C ' ' B' ' 44' ' ' PHE . 11.1 t0 -95.11 -39.8 9.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.5 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.07 34.7 2.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.359 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.481 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -98.44 134.38 41.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.654 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -106.75 -12.18 15.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.51 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -92.43 106.0 18.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.559 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -83.32 -26.3 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -75.5 -31.95 60.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.68 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.31 -51.61 42.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.725 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.31 -33.38 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.706 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.65 -49.28 78.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.63 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -61.55 -36.69 81.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -76.89 -30.61 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.1 ttt -73.7 -51.14 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.493 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -62.43 -32.96 73.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -56.09 -30.72 62.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.508 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 37.9 mt -62.56 -39.25 93.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.04 -28.92 64.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.655 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -74.18 -35.49 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.456 ' C ' ' H ' ' B' ' 66' ' ' ASP . 1.9 m-80 -94.99 28.27 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.521 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.94 17.65 2.76 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.456 ' H ' ' C ' ' B' ' 64' ' ' ASN . 94.9 m-20 -49.86 -43.84 49.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.507 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.52 -16.76 3.55 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -148.8 131.95 16.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 110.64 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.404 ' CG1' ' H ' ' B' ' 70' ' ' ASP . 0.5 OUTLIER -93.5 -154.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.471 0.653 . . . . 0.0 111.071 -179.706 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.404 ' H ' ' CG1' ' B' ' 69' ' ' VAL . 47.5 m-20 -147.29 133.11 19.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.362 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -48.02 -44.59 31.04 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.461 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -54.58 -37.32 65.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.407 . . . . 0.0 109.947 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -75.95 -30.56 58.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.535 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.422 ' O ' ' CG1' ' B' ' 78' ' ' VAL . 61.8 t80 -63.63 -39.09 93.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.757 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.81 -31.04 21.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.77 -39.49 31.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 pp -78.54 -33.55 47.8 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.078 -0.649 . . . . 0.0 112.0 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.422 ' CG1' ' O ' ' B' ' 74' ' ' TYR . 26.9 m -63.4 -43.29 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.388 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.5 -36.7 71.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.693 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.19 -32.26 10.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.555 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 70.5 mt -75.32 -33.08 61.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.521 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.1 m -71.82 -55.13 8.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.628 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.6 -24.96 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.671 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.14 32.2 0.55 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.537 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.1 t -147.58 -53.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.554 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -55.97 -31.49 63.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.67 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -44.39 -26.65 0.36 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.587 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.4 t80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.607 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.77 0.319 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.44 -38.23 90.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 2.7 tm? -62.61 -47.61 83.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.344 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.76 -32.49 71.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.532 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.3 m -66.87 -37.11 83.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.545 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.45 -43.84 75.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.3 mmm -66.67 -38.13 86.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.415 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -53.97 -36.6 63.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.4 m -58.32 -45.6 87.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.781 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 4.0 mm? -54.36 -31.23 54.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.441 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.448 HD12 HG21 ' A' ' 12' ' ' ILE . 12.5 mm -70.45 -44.1 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -59.99 -55.72 30.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.826 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 11.7 p -61.6 -41.19 89.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.547 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.489 ' O ' ' OG ' ' A' ' 19' ' ' SER . 74.8 t80 -60.07 -48.29 82.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.67 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -73.41 -19.04 61.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.691 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.8 -42.65 70.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.717 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -84.35 -27.48 27.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.695 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 16.3 m -65.36 -14.79 61.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.602 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.1 1.82 30.74 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -74.79 -106.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.641 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -82.53 -27.86 31.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.679 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.95 174.77 48.64 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -87.15 -72.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.33 . . . . 0.0 110.544 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -144.19 -48.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.408 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -99.7 -4.59 30.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.352 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -95.17 129.76 42.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.471 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 tp -124.81 114.96 19.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 m -59.42 151.9 22.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.037 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.565 ' HZ1' ' CD2' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -69.02 -38.87 79.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.574 179.7 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.401 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.12 -44.27 83.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.468 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -76.6 -28.24 56.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.82 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.503 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 2.8 tm? -64.51 -54.66 28.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.758 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -57.27 -38.19 73.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.816 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.473 ' O ' ' OG1' ' A' ' 39' ' ' THR . 72.7 mt-10 -78.94 -27.23 43.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.5 tp -62.63 -55.4 27.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.902 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' HG ' ' H ' ' A' ' 38' ' ' GLN . 3.3 pp -50.75 -49.4 58.02 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.499 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.478 ' O ' ' OG ' ' A' ' 42' ' ' SER . 11.3 pt20 -66.34 -25.56 66.87 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.048 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 41.7 m -76.93 -38.28 53.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.383 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -93.5 -27.02 16.91 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.376 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.63 46.86 1.83 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.807 0.337 . . . . 0.0 110.349 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -68.24 -28.89 67.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.64 -53.53 6.49 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.404 ' C ' ' H ' ' A' ' 46' ' ' ASP . 19.6 m-85 -45.7 -64.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.586 0.232 . . . . 0.0 111.0 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 pp -55.27 -10.05 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 0.0 111.078 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 44' ' ' PHE . 35.4 t0 -101.32 -11.37 19.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.761 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.81 -2.93 15.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.948 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.547 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.4 pp0? -99.7 139.44 35.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.696 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -105.17 -12.15 16.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.591 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.547 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 84.9 m-20 -61.36 105.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.588 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.2 t -77.67 -35.68 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -69.54 -34.68 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.815 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.77 -51.49 61.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.713 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.04 -32.32 53.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.584 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.62 -46.07 91.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.557 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -65.44 -38.33 89.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.526 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.3 t -74.61 -30.44 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.8 ttt -71.52 -51.41 23.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.406 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -64.88 -33.6 76.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.657 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -53.6 -31.06 45.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.565 ' CD2' ' HZ1' ' A' ' 30' ' ' LYS . 21.1 mt -64.42 -35.82 82.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.504 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.34 -27.63 61.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.609 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.89 -37.27 75.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.468 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.6 ' C ' ' H ' ' A' ' 66' ' ' ASP . 31.3 m-80 -90.33 24.61 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.749 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . -50.0 -5.77 0.07 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.6 ' H ' ' C ' ' A' ' 64' ' ' ASN . 57.3 t0 -35.07 -40.15 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.814 0.34 . . . . 0.0 110.641 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.48 -3.25 11.19 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -169.28 133.79 1.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.912 0.387 . . . . 0.0 110.808 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -91.73 -170.09 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.894 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -124.77 151.98 44.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.893 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -48.56 -48.6 38.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.856 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -57.03 -33.83 67.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.698 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' A' ' 77' ' ' LEU . 77.5 mm-40 -75.6 -30.81 59.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -68.51 -40.06 81.0 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.108 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.8 m -75.5 -28.86 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.8 -40.34 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' A' ' 73' ' ' GLU . 2.6 pp -78.34 -35.3 47.75 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.075 -178.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.66 -41.27 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.01 -40.47 60.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.715 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.42 -30.57 2.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.8 mt -75.4 -38.64 59.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.656 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.7 m -63.86 -54.95 26.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.748 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.499 ' C ' ' H ' ' A' ' 85' ' ' CYS . 7.4 p -52.04 -36.43 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.722 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.29 30.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.499 ' H ' ' C ' ' A' ' 83' ' ' VAL . 47.3 t -149.49 -55.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.61 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 88' ' ' PHE . 89.4 m-20 -52.92 -36.41 59.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.565 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 87' ' ' ASN . 0.5 OUTLIER -40.4 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 86' ' ' ASN . 46.6 t80 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.684 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.828 0.347 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.47 -38.16 90.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.497 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.523 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 2.7 tm? -62.68 -47.57 83.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.318 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.79 -32.47 71.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 39.3 m -66.87 -37.08 83.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.606 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.52 -43.84 76.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.547 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 61.0 mmm -66.62 -38.19 86.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.41 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -54.0 -36.54 63.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.516 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.7 m -58.36 -45.57 87.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.737 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -54.42 -31.27 54.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.423 HG21 HD12 ' B' ' 12' ' ' ILE . 12.4 mm -70.41 -43.99 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.734 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -60.09 -55.63 31.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.882 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 11.6 p -61.62 -41.06 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.68 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.487 ' O ' ' OG ' ' B' ' 19' ' ' SER . 75.2 t80 -60.07 -48.36 82.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.688 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -73.27 -19.21 61.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.634 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.81 -42.49 70.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.782 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -84.45 -27.55 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 16.3 m -65.27 -14.67 61.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.16 1.77 31.54 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -74.78 -106.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.724 0.297 . . . . 0.0 110.675 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -82.57 -27.74 31.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.682 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.88 174.74 48.49 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -87.07 -72.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 110.545 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -144.14 -48.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -99.7 -4.5 30.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.461 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -95.22 129.72 42.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.499 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 tp -124.74 114.92 19.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 5.8 m -59.25 151.77 22.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.063 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.557 ' HZ1' ' CD2' ' B' ' 61' ' ' LEU . 0.1 OUTLIER -69.0 -38.82 79.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.618 179.661 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.412 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.05 -44.39 82.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.954 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -76.3 -28.49 56.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.83 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.51 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.8 tm? -64.35 -54.85 26.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.698 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -57.11 -38.2 73.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.46 ' O ' ' OG1' ' B' ' 39' ' ' THR . 72.7 mt-10 -79.17 -26.98 42.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 21.4 tp -62.8 -55.35 27.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.812 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -50.75 -49.38 58.11 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.517 -178.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.488 ' O ' ' OG ' ' B' ' 42' ' ' SER . 11.3 pt20 -66.34 -25.53 66.86 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.05 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 41.7 m -76.94 -38.43 53.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.244 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -93.47 -26.89 16.99 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.379 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.65 46.86 1.83 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.875 0.369 . . . . 0.0 110.462 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 0.7 OUTLIER -68.21 -28.78 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.77 -53.52 6.39 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.412 ' C ' ' H ' ' B' ' 46' ' ' ASP . 19.3 m-85 -45.66 -64.33 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.597 0.237 . . . . 0.0 111.0 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 pp -55.29 -10.0 0.52 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.781 0.324 . . . . 0.0 111.035 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' B' ' 44' ' ' PHE . 35.2 t0 -101.29 -11.41 19.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.808 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.84 -2.88 15.08 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.538 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.4 pp0? -99.79 139.45 35.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.659 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -105.21 -12.16 16.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.488 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.538 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 85.1 m-20 -61.47 105.54 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.522 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 75.7 t -77.76 -35.47 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.696 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -69.65 -34.75 74.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.709 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.67 -51.51 62.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.752 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.95 -32.38 54.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.589 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.61 -46.08 91.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.612 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -65.46 -38.28 89.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.538 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.5 t -74.67 -30.3 24.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.573 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.8 ttt -71.67 -51.38 23.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.456 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -64.75 -33.74 76.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -53.56 -30.98 44.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.558 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.557 ' CD2' ' HZ1' ' B' ' 30' ' ' LYS . 21.0 mt -64.54 -35.77 82.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.467 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -73.37 -27.56 61.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.653 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.0 -37.2 75.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.555 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.6 ' C ' ' H ' ' B' ' 66' ' ' ASP . 31.1 m-80 -90.29 24.72 2.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.811 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' B' ' 66' ' ' ASP . . . -50.05 -5.86 0.08 OUTLIER Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.6 ' H ' ' C ' ' B' ' 64' ' ' ASN . 57.0 t0 -34.98 -40.12 0.11 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.717 0.294 . . . . 0.0 110.742 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.43 -3.16 11.25 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -169.27 133.98 1.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -92.44 -170.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.666 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -124.51 151.92 44.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.045 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -48.54 -48.66 38.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -56.88 -34.01 67.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.363 . . . . 0.0 110.73 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -75.49 -30.8 59.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -68.46 -40.09 81.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.137 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.52 -28.79 20.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.89 -40.48 31.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.36 -35.06 47.92 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.191 -0.604 . . . . 0.0 112.104 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.84 -41.18 84.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.375 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.01 -40.58 60.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.665 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.44 -30.44 2.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.741 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.8 mt -75.48 -38.64 59.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.617 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 95.1 m -63.96 -54.75 29.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.805 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.502 ' C ' ' H ' ' B' ' 85' ' ' CYS . 7.4 p -52.22 -36.36 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.661 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.31 30.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.502 ' H ' ' C ' ' B' ' 83' ' ' VAL . 47.1 t -149.52 -55.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.666 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' B' ' 88' ' ' PHE . 89.4 m-20 -52.86 -36.56 59.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.604 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' B' ' 87' ' ' ASN . 0.5 OUTLIER -40.44 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' B' ' 86' ' ' ASN . 46.7 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.612 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.85 0.357 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.484 ' O ' ' OG1' ' A' ' 6' ' ' THR . 86.2 tt0 -55.15 -31.76 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.721 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -48.45 76.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -65.42 -34.43 78.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.509 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 61.0 p -69.37 -34.66 74.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.774 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.93 -38.38 67.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.516 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.6 mmm -76.8 -33.25 58.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.959 0.409 . . . . 0.0 110.398 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -57.07 -37.43 71.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.752 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.0 m -58.84 -40.53 84.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -61.2 -31.16 70.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.588 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.438 HG21 HD11 ' A' ' 12' ' ' ILE . 15.4 mm -69.92 -41.71 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -61.17 -55.62 30.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.12 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -59.86 -37.86 73.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.824 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.476 ' O ' ' OG ' ' A' ' 19' ' ' SER . 69.1 t80 -60.61 -40.61 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -82.29 -17.69 44.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.7 -35.42 57.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.785 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -92.61 -12.56 31.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 73.0 m -76.96 9.04 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.81 0.338 . . . . 0.0 110.673 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.39 0.1 53.64 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -63.46 -52.04 63.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.68 0.276 . . . . 0.0 110.733 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -149.49 -44.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.566 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.72 148.7 3.51 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -42.79 -88.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.57 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -142.21 -55.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.476 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.7 34.98 1.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.166 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -136.41 148.29 47.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.577 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.0 tp -133.44 125.65 29.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.8 p -75.04 144.49 43.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -66.18 -30.08 70.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.426 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -56.52 -45.15 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.038 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -80.35 -28.21 38.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.35 . . . . 0.0 110.767 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.489 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 2.9 tm? -53.76 -52.95 58.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.902 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 17.8 ptmt -51.42 -39.17 56.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.472 ' O ' ' OG1' ' A' ' 39' ' ' THR . 70.0 mt-10 -79.19 -27.26 42.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.796 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.5 tp -63.34 -55.97 20.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.791 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.4 pp -51.65 -50.8 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.537 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.461 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 11.0 pt20 -65.25 -25.69 67.78 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.191 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 97.6 m -70.53 -42.37 71.34 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.42 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.75 -27.06 16.71 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.344 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 mp -115.07 40.04 2.75 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.728 0.299 . . . . 0.0 110.325 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.431 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 1.2 p -65.68 -28.59 69.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.921 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.25 -47.37 29.98 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -51.37 -63.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.669 0.271 . . . . 0.0 110.988 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -56.96 -27.38 61.16 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.058 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 42' ' ' SER . 91.5 m-20 -72.71 -41.1 65.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.617 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.94 39.43 1.79 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.398 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -99.84 137.38 38.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.646 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -104.79 -13.55 15.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.49 ' OD2' ' O ' ' A' ' 84' ' ' ALA . 21.4 m-20 -91.53 106.05 18.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.52 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.1 t -80.04 -32.15 13.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.575 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 58.3 t0 -70.31 -35.41 73.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.96 -51.47 69.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.63 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.8 -31.92 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -58.33 -46.22 86.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.71 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.83 -36.78 85.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.534 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.65 -30.26 24.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.503 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.9 ttm -72.63 -51.52 19.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.52 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -64.3 -31.72 73.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.581 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -52.93 -31.84 42.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.42 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.39 -43.39 92.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.609 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -65.6 -33.84 76.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.39 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -69.59 -35.17 75.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.044 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -101.69 95.63 6.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.575 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -119.66 -5.18 11.27 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' GLY . 43.4 t0 -36.79 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.95 0.405 . . . . 0.0 110.543 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 96.87 -6.34 64.41 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -143.31 132.15 22.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 110.396 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.4 ' CG1' ' H ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -92.71 -154.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.309 -179.685 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.4 ' H ' ' CG1' ' A' ' 69' ' ' VAL . 49.4 t0 -150.14 141.72 23.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.861 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -48.71 -50.13 34.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.698 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -57.54 -33.65 68.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.655 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -75.45 -30.89 60.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -69.23 -41.97 76.28 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.946 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.17 -28.08 20.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -39.37 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 pp -77.63 -34.76 53.16 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.928 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.3 m -61.69 -42.02 92.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.336 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.11 -38.74 75.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.624 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.52 -31.79 16.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.474 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.6 mt -75.16 -34.24 61.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.6 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.7 m -69.88 -55.1 10.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.754 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.52 -30.85 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.696 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.49 ' O ' ' OD2' ' A' ' 50' ' ' ASP . . . -64.05 -39.18 93.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.71 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.8 m -83.44 -50.54 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.691 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -51.7 -36.12 45.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.572 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -50.61 -24.75 3.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.723 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.8 t80 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.854 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.779 0.324 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.483 ' O ' ' OG1' ' B' ' 6' ' ' THR . 86.3 tt0 -55.11 -31.82 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.677 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.19 -48.37 76.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.395 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.57 -34.22 77.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.555 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 62.1 p -69.49 -34.68 74.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.779 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.8 -38.44 67.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.617 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.1 mmm -76.69 -33.35 58.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.39 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -57.13 -37.41 71.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.783 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 23.7 m -58.72 -40.57 84.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.787 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.7 mm? -61.11 -31.23 70.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.621 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.5 mm -69.86 -41.9 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -60.95 -55.75 29.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.078 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -59.91 -37.8 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.736 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.464 ' O ' ' OG ' ' B' ' 19' ' ' SER . 69.6 t80 -60.67 -40.46 92.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.711 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -82.33 -17.76 44.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.779 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.56 -35.59 58.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -92.56 -12.51 31.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 72.5 m -77.03 9.18 3.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.601 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.39 0.03 53.63 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -63.44 -51.99 63.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.718 0.294 . . . . 0.0 110.701 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -149.61 -44.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.614 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.74 148.64 3.56 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -42.65 -88.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -142.07 -55.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.66 35.0 1.41 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.207 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -136.43 148.28 47.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.604 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 26.3 tp -133.39 125.7 29.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.341 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.9 p -75.23 144.52 42.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -66.13 -30.06 70.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.47 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -56.57 -45.15 81.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.018 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -80.25 -28.37 38.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.697 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.492 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.9 tm? -53.64 -53.02 57.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.959 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 17.8 ptmt -51.36 -39.29 56.79 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.804 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.491 ' O ' ' OG1' ' B' ' 39' ' ' THR . 70.1 mt-10 -79.07 -27.22 43.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.947 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.7 tp -63.35 -55.97 20.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.792 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.47 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.4 pp -51.76 -50.62 60.31 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.493 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.47 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 11.0 pt20 -65.47 -25.5 67.53 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.179 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 98.1 m -70.73 -42.29 70.75 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.358 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.75 -26.99 16.75 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.318 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 mp -115.05 39.79 2.81 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.705 0.288 . . . . 0.0 110.319 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.444 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 1.2 p -65.36 -28.62 69.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.992 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.27 -47.33 30.04 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -51.61 -63.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.061 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -57.06 -27.5 61.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.953 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' B' ' 42' ' ' SER . 91.9 m-20 -72.76 -40.97 65.57 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.656 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.93 39.48 1.77 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.445 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -99.95 137.38 38.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.626 -179.733 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -104.84 -13.5 15.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.524 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.486 ' OD2' ' O ' ' B' ' 84' ' ' ALA . 21.2 m-20 -91.63 106.12 18.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.619 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 94.3 t -80.26 -31.99 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.473 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' B' ' 52' ' ' ASP . 58.4 t0 -70.25 -35.41 73.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.69 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -51.52 68.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.646 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.0 p -68.75 -32.07 53.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.601 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -58.23 -46.34 86.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.8 -36.81 85.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.524 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 91.1 t -74.67 -30.24 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.0 ttm -72.62 -51.54 19.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.607 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -64.2 -31.76 73.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.584 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -52.95 -31.71 41.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.445 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 62.6 mt -59.43 -43.44 93.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.571 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -65.7 -33.73 76.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.415 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -69.6 -35.23 75.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.999 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -101.63 95.58 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.27 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -119.56 -5.1 11.42 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' B' ' 65' ' ' GLY . 43.4 t0 -36.72 -26.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.4 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 97.08 -7.11 64.34 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -142.18 132.57 25.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.882 0.373 . . . . 0.0 110.471 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -94.16 -154.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.034 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -150.06 141.78 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.897 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -48.73 -50.09 35.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.795 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -57.52 -33.65 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.746 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.34 -31.06 60.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -69.22 -41.98 76.34 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.859 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.22 -28.11 20.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.63 -39.46 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 pp -77.67 -34.82 52.86 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.892 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 29.8 m -61.43 -42.15 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.479 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.02 -38.79 76.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.771 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.57 -31.59 16.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.9 mt -75.36 -34.27 61.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.578 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 31.3 m -69.7 -55.13 10.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 p -57.72 -30.75 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.643 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.486 ' O ' ' OD2' ' B' ' 50' ' ' ASP . . . -64.03 -39.2 93.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.677 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 73.7 m -83.52 -50.33 8.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.768 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -51.86 -36.0 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.607 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -50.63 -24.91 3.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.726 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.2 t80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.793 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.748 0.308 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -59.78 -37.94 80.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.94 -48.61 81.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.183 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.74 -31.31 70.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.27 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.7 m -69.51 -34.94 75.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.602 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.38 -47.16 76.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.59 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.6 mmm -68.15 -36.18 79.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.5 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -56.14 -33.49 65.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.515 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.7 m -60.99 -42.9 99.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.729 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -59.8 -31.23 69.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.479 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.418 HG22 HD12 ' A' ' 12' ' ' ILE . 14.2 mm -70.0 -44.17 78.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.968 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -60.01 -54.8 41.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -62.05 -41.32 90.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.735 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.413 ' O ' ' OG ' ' A' ' 19' ' ' SER . 89.4 t80 -57.96 -40.93 81.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -79.9 -18.3 50.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.601 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.74 -42.65 60.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -84.37 -10.31 57.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.738 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 74.3 m -76.17 2.78 12.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.588 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.88 -1.47 67.63 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -69.88 -74.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 110.589 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -115.02 -30.74 6.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.494 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.55 152.36 52.32 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -63.53 -52.34 61.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.538 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -169.18 -45.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.644 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.38 28.26 7.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.147 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -136.08 149.32 48.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.458 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 tp -139.16 127.3 22.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.474 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 p -74.35 145.17 44.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.479 ' HZ1' ' CB ' ' A' ' 64' ' ' ASN . 26.9 tptt -66.37 -30.13 70.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.342 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -56.41 -45.18 80.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.801 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -80.63 -28.01 37.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.698 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.487 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 2.5 tm? -53.54 -55.4 25.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 10.8 ptmm? -51.39 -38.38 53.13 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.824 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.481 ' O ' ' OG1' ' A' ' 39' ' ' THR . 93.6 mt-10 -78.88 -27.06 43.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.7 tp -65.27 -56.3 13.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.72 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.66 -50.37 60.49 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.604 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.453 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 12.4 pt20 -65.66 -25.4 67.33 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.276 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 67.2 m -72.36 -42.06 65.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.724 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.73 -26.75 16.87 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.286 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.5 46.3 1.64 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.796 0.332 . . . . 0.0 110.303 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.6 p -68.66 -35.6 77.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.99 -46.63 80.03 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -50.0 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.741 0.305 . . . . 0.0 110.826 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -54.62 -24.35 21.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.046 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.11 -45.04 51.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.534 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.58 42.95 1.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.393 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.484 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -104.1 133.56 48.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.696 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -101.31 -23.52 14.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.421 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -77.16 105.73 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -80.61 -31.99 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.643 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -72.05 -33.43 67.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.719 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.76 -51.25 67.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.67 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.86 -32.59 58.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.589 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -59.91 -43.37 94.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.641 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.54 -38.09 89.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.3 t -75.25 -30.64 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.648 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.4 ttt -71.89 -50.89 25.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.5 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -64.58 -31.71 73.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.521 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -54.21 -33.98 59.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.633 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.2 mt -59.42 -39.74 84.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.637 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -70.17 -31.2 68.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.557 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -69.31 -38.47 78.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.286 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.479 ' CB ' ' HZ1' ' A' ' 30' ' ' LYS . 29.9 m-80 -100.99 97.01 7.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.419 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.565 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -119.67 -6.37 10.44 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' GLY . 27.7 t70 -36.56 -26.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.777 0.322 . . . . 0.0 110.53 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 99.44 -6.37 59.26 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -142.96 131.73 22.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.189 0.518 . . . . 0.0 110.399 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.416 ' CG1' ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.92 -154.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.33 -179.568 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.416 ' H ' ' CG1' ' A' ' 69' ' ' VAL . 22.5 t0 -149.6 143.65 25.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.914 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -48.7 -51.67 27.44 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.819 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -57.43 -34.13 68.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.609 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -74.64 -30.44 61.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -68.46 -43.18 77.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.855 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.9 m -75.07 -27.86 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -38.41 39.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 120.468 -0.493 . . . . 0.0 112.288 -178.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.3 -42.45 30.74 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.741 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.9 m -62.11 -32.4 54.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.285 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.06 -37.62 64.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.431 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.77 -24.01 47.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.703 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.6 mt -75.04 -33.23 61.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.62 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.402 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 91.1 m -68.13 -53.0 28.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.686 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.412 ' C ' ' H ' ' A' ' 85' ' ' CYS . 11.0 p -61.85 -23.56 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.699 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.58 24.66 0.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.705 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.412 ' H ' ' C ' ' A' ' 83' ' ' VAL . 49.0 t -153.41 -43.51 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 82' ' ' THR . 10.5 m120 -53.5 -31.49 46.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.635 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -49.53 -31.91 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.7 t80 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.64 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.818 0.342 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -59.5 -38.1 80.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.8 -48.76 80.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.119 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.73 -31.29 70.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.301 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 89.9 m -69.46 -34.95 75.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.664 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.19 76.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.541 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.7 mmm -68.16 -36.22 79.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.918 0.39 . . . . 0.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -56.08 -33.63 65.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.553 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.6 m -60.75 -43.13 98.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.771 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -59.55 -31.38 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.499 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.412 HG22 HD12 ' B' ' 12' ' ' ILE . 14.3 mm -70.02 -44.2 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -60.04 -54.69 43.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.12 -41.4 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.724 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.421 ' O ' ' OG ' ' B' ' 19' ' ' SER . 89.3 t80 -57.7 -40.95 80.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.658 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -79.91 -18.45 50.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.86 -42.58 60.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -84.29 -10.33 57.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.785 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 74.1 m -76.17 2.76 12.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.593 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.92 -1.49 67.51 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -69.94 -74.01 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.705 0.288 . . . . 0.0 110.55 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -115.06 -30.82 6.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.51 152.27 52.27 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -63.43 -52.33 61.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.639 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -169.11 -45.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.568 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.22 28.16 7.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -136.07 149.49 48.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.45 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -139.2 127.37 22.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.426 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.1 p -74.61 145.24 43.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.466 ' HZ1' ' CB ' ' B' ' 64' ' ' ASN . 26.8 tptt -66.47 -29.89 70.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.299 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -56.74 -45.12 82.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.673 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -80.43 -28.23 37.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.718 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.485 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.5 tm? -53.41 -55.48 24.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.416 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 10.9 ptmm? -51.38 -38.45 53.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.914 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.476 ' O ' ' OG1' ' B' ' 39' ' ' THR . 93.6 mt-10 -78.82 -26.97 44.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.7 tp -65.25 -56.32 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.722 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.73 -50.25 60.94 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.569 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.456 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 12.4 pt20 -65.75 -25.44 67.28 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.251 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 66.5 m -72.38 -42.09 65.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.656 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.65 -26.82 16.89 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.322 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.48 46.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 0.0 110.451 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 24.7 p -68.72 -35.49 77.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.05 -46.6 79.75 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -49.96 -66.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.695 0.283 . . . . 0.0 110.744 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.58 -24.31 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.939 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.09 -45.21 50.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.46 43.06 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.474 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -104.18 133.43 49.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.631 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -101.34 -23.29 14.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -77.24 105.79 8.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -80.59 -32.01 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.643 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -72.14 -33.35 67.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.742 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.56 -51.49 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.71 -32.59 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.664 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -59.88 -43.41 94.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.682 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.44 -38.05 89.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.9 t -75.35 -30.64 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.588 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 6.4 ttt -71.76 -51.01 24.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.392 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -64.62 -31.57 72.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.539 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -54.21 -34.05 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.609 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 63.3 mt -59.51 -39.67 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.62 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -70.1 -31.26 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.561 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -69.41 -38.46 77.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.118 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.466 ' CB ' ' HZ1' ' B' ' 30' ' ' LYS . 30.0 m-80 -101.02 97.07 7.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.42 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -119.78 -6.28 10.39 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' B' ' 65' ' ' GLY . 27.7 t70 -36.66 -26.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 110.503 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 99.56 -7.19 59.48 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -141.62 131.92 25.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.405 HG11 ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -94.46 -154.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.035 -179.442 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.405 ' H ' HG11 ' B' ' 69' ' ' VAL . 22.7 t0 -149.38 143.81 26.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.918 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -48.63 -51.82 26.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.79 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -57.25 -34.32 68.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.57 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -74.52 -30.53 61.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -68.35 -43.28 77.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.931 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 31.0 m -75.01 -27.76 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -38.21 37.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 120.427 -0.509 . . . . 0.0 112.261 -178.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 pp -78.41 -42.4 30.25 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.622 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.7 m -62.16 -32.39 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.09 -37.5 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.482 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.9 -23.93 48.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.691 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.12 -33.23 61.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.545 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.403 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 89.6 m -68.01 -53.0 29.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.763 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.416 ' C ' ' H ' ' B' ' 85' ' ' CYS . 10.9 p -61.94 -23.54 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.604 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.48 24.52 0.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.646 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.416 ' H ' ' C ' ' B' ' 83' ' ' VAL . 48.8 t -153.31 -43.43 0.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.587 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' B' ' 82' ' ' THR . 10.5 m120 -53.57 -31.51 46.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.562 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -49.5 -31.82 10.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 46.8 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.522 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.846 0.355 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -52.32 -29.3 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.602 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -48.72 68.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -65.09 -32.87 74.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.67 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.7 p -69.4 -34.5 74.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.79 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.85 -41.95 71.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.544 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.8 mmm -70.71 -34.55 72.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.374 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -56.7 -35.33 68.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.571 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.5 m -60.21 -42.48 95.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -59.03 -31.4 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.634 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.449 HD12 HG23 ' A' ' 12' ' ' ILE . 12.5 mm -70.33 -40.41 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.769 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -60.04 -55.68 30.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.46 -39.22 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.737 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.49 ' O ' ' OG ' ' A' ' 19' ' ' SER . 72.2 t80 -59.5 -42.81 93.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.572 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -80.37 -17.72 51.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.671 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.42 -42.13 54.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.964 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -86.74 -9.74 55.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.87 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.49 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 74.9 m -77.73 4.06 12.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.867 0.365 . . . . 0.0 110.528 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.79 -8.7 59.15 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -64.7 -72.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.797 0.332 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -117.41 -13.6 10.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.37 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.18 153.63 34.14 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -86.75 -32.19 20.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.801 0.334 . . . . 0.0 110.574 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' C ' ' H ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -169.66 -91.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.539 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.28 28.04 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 25' ' ' LYS . 45.2 mtmt -121.87 142.04 50.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.624 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 tp -139.46 123.44 17.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.308 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -75.16 143.44 43.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.043 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -68.79 -29.69 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.456 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -56.69 -44.86 81.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.888 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.45 -28.17 37.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.663 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.461 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 2.4 tm? -53.46 -52.58 59.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.894 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -51.25 -36.96 44.48 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.768 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.486 ' O ' ' OG1' ' A' ' 39' ' ' THR . 95.7 mt-10 -79.2 -27.35 42.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.823 0.344 . . . . 0.0 110.836 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.69 -56.23 11.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.805 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.432 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.58 -49.12 62.71 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.274 -178.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.432 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 11.8 pt20 -67.7 -25.57 65.74 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.928 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 42.1 m -72.84 -39.61 66.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.167 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -92.99 -26.75 17.4 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.234 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.58 45.73 2.07 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.682 0.277 . . . . 0.0 110.481 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -68.32 -31.03 70.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.66 -53.0 7.67 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -44.82 -66.96 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.011 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 pp -54.37 -12.84 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.922 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -99.64 -17.06 17.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.787 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.17 -2.93 30.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.773 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.582 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 5.1 pp0? -105.36 146.83 28.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.643 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -115.69 9.82 15.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.404 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.582 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 94.6 m-20 -79.25 106.04 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.657 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.3 t -76.02 -38.83 36.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.692 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -69.03 -38.81 79.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.97 -51.51 66.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.676 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.95 -34.41 64.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.32 -46.91 72.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.621 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -60.63 -38.18 83.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.641 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.89 -30.49 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.56 -51.2 24.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.433 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -63.99 -31.55 72.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.584 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -54.15 -31.96 53.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.7 -39.78 92.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.554 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -74.22 -27.64 60.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.753 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -73.15 -41.18 64.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.505 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.413 ' C ' ' H ' ' A' ' 66' ' ' ASP . 34.8 m-80 -100.93 32.86 3.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.591 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.45 16.32 7.98 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 64' ' ' ASN . 98.6 m-20 -48.55 -45.09 37.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.85 0.357 . . . . 0.0 110.532 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.3 -15.87 3.43 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -142.71 132.63 24.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.05 0.452 . . . . 0.0 110.446 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.422 ' CG1' ' H ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -92.62 -154.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.413 -179.501 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.422 ' H ' ' CG1' ' A' ' 69' ' ' VAL . 12.7 m-20 -150.16 141.26 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.819 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -48.52 -49.74 34.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.789 0.328 . . . . 0.0 110.681 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.06 -33.42 72.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.633 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.409 ' O ' ' CD2' ' A' ' 77' ' ' LEU . 17.2 mm-40 -74.29 -30.85 62.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.055 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -70.67 -42.47 70.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.848 0.356 . . . . 0.0 110.958 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 m -74.94 -27.77 20.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.53 -40.4 33.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.409 ' CD2' ' O ' ' A' ' 73' ' ' GLU . 2.6 pp -76.89 -35.02 57.69 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.971 -178.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.1 m -62.06 -41.53 91.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.352 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.82 83.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.45 -32.78 12.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.597 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.1 mt -75.43 -29.84 59.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.597 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.7 m -69.54 -55.14 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.992 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.29 -26.97 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.821 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.81 -22.52 66.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.808 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.9 t -93.81 -56.09 3.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.771 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -47.13 -33.99 5.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.776 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -52.69 -28.16 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.634 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.3 t80 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.659 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.806 0.336 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -52.37 -29.29 23.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.83 -48.72 68.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.493 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.95 -32.9 74.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.683 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 77.5 p -69.37 -34.61 74.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.817 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.83 -41.92 71.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.649 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 58.7 mmm -70.58 -34.66 72.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.488 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -56.55 -35.4 68.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.575 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 23.6 m -60.27 -42.38 95.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -58.96 -31.51 68.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.615 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.435 HG23 HD12 ' B' ' 12' ' ' ILE . 12.4 mm -70.36 -40.27 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.808 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -60.1 -55.53 32.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.941 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.6 -39.22 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.685 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.479 ' O ' ' OG ' ' B' ' 19' ' ' SER . 72.0 t80 -59.49 -42.83 93.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.548 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -80.47 -17.58 51.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.768 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.47 -42.08 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -86.68 -9.83 55.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.956 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 74.6 m -77.66 4.11 12.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.503 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.98 -8.51 59.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -64.71 -72.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.856 0.36 . . . . 0.0 110.4 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -117.25 -13.75 10.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.02 153.67 34.46 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -86.71 -32.3 20.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 110.54 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.451 ' C ' ' H ' ' B' ' 27' ' ' LYS . 0.2 OUTLIER -169.6 -91.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.35 28.08 0.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.299 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' B' ' 25' ' ' LYS . 45.2 mtmt -121.89 141.97 50.73 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -139.42 123.53 17.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.301 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -75.22 143.4 43.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.256 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -68.74 -29.78 68.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.444 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -56.62 -44.91 81.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.914 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.29 -28.34 38.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.906 0.384 . . . . 0.0 110.657 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.462 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.5 tm? -53.5 -52.54 59.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.792 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -51.27 -36.92 44.47 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.763 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.471 ' O ' ' OG1' ' B' ' 39' ' ' THR . 95.7 mt-10 -79.27 -27.29 42.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.822 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.57 -56.3 11.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.84 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.54 -49.06 62.74 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.373 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.435 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 11.9 pt20 -67.61 -25.63 65.85 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.006 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 43.0 m -72.82 -39.65 66.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.217 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -93.02 -26.57 17.45 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.214 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.77 45.8 2.07 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.439 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -68.38 -30.91 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.001 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.79 -52.88 7.69 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -44.89 -67.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.627 0.251 . . . . 0.0 110.89 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 pp -54.28 -12.82 0.72 Allowed 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.823 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -99.69 -17.11 17.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.728 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.13 -2.96 30.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.712 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.578 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 5.1 pp0? -105.41 146.83 28.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.627 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -115.59 9.79 15.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.478 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.578 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 94.5 m-20 -79.24 106.0 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.639 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -76.08 -38.64 35.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -69.01 -38.92 79.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.9 -51.44 66.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.799 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.08 -34.23 62.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.664 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.49 -46.76 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.609 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -60.83 -38.11 84.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.627 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.5 t -76.78 -30.56 18.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.634 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.53 -51.4 23.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -63.93 -31.56 72.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -54.04 -31.98 53.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.56 -39.83 92.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.648 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.2 -27.68 60.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.771 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -73.12 -41.09 64.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.468 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.41 ' C ' ' H ' ' B' ' 66' ' ' ASP . 34.8 m-80 -101.02 32.72 3.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.481 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.5 16.48 7.8 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' B' ' 64' ' ' ASN . 98.6 m-20 -48.71 -44.91 38.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 110.512 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.44 -16.86 3.35 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -141.16 133.22 27.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 0.0 110.526 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.416 ' CG1' ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -94.14 -154.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.199 -179.54 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.416 ' H ' ' CG1' ' B' ' 69' ' ' VAL . 12.8 m-20 -150.06 141.43 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.028 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -48.6 -49.65 35.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.352 . . . . 0.0 110.766 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.13 -33.4 72.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -74.18 -30.93 62.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -70.73 -42.23 70.82 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.966 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.8 m -75.03 -27.93 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.44 -40.33 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -76.99 -34.97 57.49 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.883 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 29.4 m -62.03 -41.69 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.348 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.89 -39.88 83.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.5 -32.68 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.635 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.2 mt -75.36 -29.94 60.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.562 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.9 m -69.57 -55.22 10.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.887 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.0 p -60.06 -27.1 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.929 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.85 -22.49 65.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.792 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.5 t -93.73 -56.17 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.756 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -47.27 -33.88 6.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -52.66 -28.14 20.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.787 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 74.4 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.634 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.856 0.36 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -60.72 -40.36 92.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.631 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 2.7 tm? -65.78 -48.39 71.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.213 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.92 -33.54 73.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.489 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.3 m -68.88 -35.12 76.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.57 77.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.528 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.5 mmm -64.8 -38.77 92.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.495 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 7.6 tt0 -55.02 -35.52 64.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.695 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.5 m -59.79 -44.59 93.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.753 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -55.92 -31.6 63.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.447 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -70.57 -40.05 76.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.69 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 8.7 m-80 -63.91 -55.68 20.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.746 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 9.0 p -62.33 -39.68 85.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.488 ' O ' ' OG ' ' A' ' 19' ' ' SER . 92.8 t80 -60.52 -45.16 94.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.569 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -80.08 -19.18 48.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.783 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.59 -37.45 79.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -91.72 -17.53 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.717 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 47.1 m -63.96 -24.84 67.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.81 -8.02 32.08 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -68.77 -106.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.452 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -87.0 -33.68 19.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.541 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.88 150.41 51.52 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.53 -62.8 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 110.573 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -145.34 -76.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.66 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -83.66 -5.08 59.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.227 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -92.81 147.48 22.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.373 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 tp -146.42 114.92 6.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.92 0.39 . . . . 0.0 110.588 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.51 150.02 23.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.792 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' NZ ' ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -68.85 -30.25 68.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.976 0.417 . . . . 0.0 110.41 179.333 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.405 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.77 -43.21 80.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.513 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -80.15 -28.34 38.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.307 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 1.9 tm? -62.17 -56.14 21.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.569 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -52.11 -38.86 58.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.916 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.491 ' O ' ' OG1' ' A' ' 39' ' ' THR . 30.7 mt-10 -78.92 -27.21 43.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.21 -56.28 12.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.639 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -52.47 -50.03 63.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.513 -178.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.452 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 13.5 pt20 -66.04 -25.55 67.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.032 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 55.1 m -73.85 -38.31 64.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.082 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -93.45 -26.88 17.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.288 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.12 45.08 2.06 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.736 0.303 . . . . 0.0 110.41 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -68.25 -27.59 66.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.19 -52.31 4.93 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' C ' ' H ' ' A' ' 46' ' ' ASP . 12.6 m-85 -45.89 -64.58 0.71 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.574 0.226 . . . . 0.0 110.917 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.83 -9.53 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.048 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 44' ' ' PHE . 16.4 t70 -105.69 -16.18 14.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.701 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.25 -2.94 21.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.768 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.51 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.9 pp0? -99.53 134.48 42.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.768 0.318 . . . . 0.0 110.735 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -98.42 -3.34 37.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.475 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.51 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 83.3 m-20 -71.63 104.3 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.66 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -80.41 -28.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.423 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -72.78 -39.48 66.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.727 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.12 -51.38 69.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.606 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.11 -31.86 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.716 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -62.42 -40.77 97.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.698 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -72.38 -37.38 68.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.081 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.7 t -77.28 -48.15 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.209 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.657 ' SD ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -60.24 -44.09 95.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.935 -179.271 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.657 ' N ' ' SD ' ' A' ' 58' ' ' MET . 23.5 pttt -68.74 -33.29 73.67 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.513 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -52.85 -28.62 23.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.402 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.3 mt -67.72 -38.63 83.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.628 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.65 -31.93 70.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -80.06 -37.4 33.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.599 ' C ' ' H ' ' A' ' 66' ' ' ASP . 1.4 m120 -87.49 24.19 1.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.674 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . -58.74 4.54 0.09 OUTLIER Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.599 ' H ' ' C ' ' A' ' 64' ' ' ASN . 50.4 m-20 -34.9 -35.33 0.04 OUTLIER 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.881 0.372 . . . . 0.0 110.519 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 121.15 -4.57 11.28 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -173.6 135.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.158 0.504 . . . . 0.0 111.437 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.421 ' CG1' ' NZ ' ' A' ' 30' ' ' LYS . 10.7 m -91.51 -172.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.565 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -126.61 154.34 44.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -49.11 -53.2 21.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.622 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -56.18 -33.55 65.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -76.16 -30.81 58.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -69.02 -40.52 78.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.5 m -75.07 -28.67 21.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.076 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.71 -39.68 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.24 -35.13 48.7 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.895 -178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.5 m -61.2 -41.95 91.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.197 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.58 -37.36 73.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.494 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.8 -31.27 26.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.44 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.0 mt -75.62 -36.74 60.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.546 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.1 m -66.0 -55.13 18.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.715 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.49 ' C ' ' H ' ' A' ' 85' ' ' CYS . 12.1 p -54.39 -34.85 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.653 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.12 23.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.549 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.49 ' H ' ' C ' ' A' ' 83' ' ' VAL . 21.8 t -137.03 -65.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.488 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -53.79 -28.47 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -45.48 -28.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.0 t80 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.497 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.818 0.342 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -60.78 -40.42 92.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.665 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.52 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 2.7 tm? -65.77 -48.31 72.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.188 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.97 -33.61 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.469 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 33.0 m -68.74 -35.25 76.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.562 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.44 -46.52 76.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.662 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 56.4 mmm -64.89 -38.66 91.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.523 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 7.6 tt0 -55.06 -35.6 64.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.596 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.2 m -59.77 -44.6 93.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.786 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -55.92 -31.55 62.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.49 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -70.58 -40.01 76.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.684 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 8.8 m-80 -64.01 -55.63 20.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.783 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 9.3 p -62.26 -39.77 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.75 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.468 ' O ' ' OG ' ' B' ' 19' ' ' SER . 92.8 t80 -60.47 -45.09 95.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.658 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -80.05 -19.25 48.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.717 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.55 -37.47 79.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.727 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -91.62 -17.61 25.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.705 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 46.6 m -63.97 -24.77 67.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.594 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.86 -8.11 32.84 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -68.63 -106.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 110.484 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -86.9 -33.77 19.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.483 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.92 150.49 51.57 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -70.6 -62.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.718 0.294 . . . . 0.0 110.562 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -145.31 -76.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.746 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -83.87 -4.98 59.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.372 . . . . 0.0 110.239 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -92.9 147.51 22.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.281 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 tp -146.39 114.97 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.638 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.59 150.06 24.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.422 ' NZ ' ' CG1' ' B' ' 69' ' ' VAL . 0.0 OUTLIER -69.11 -30.13 68.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.157 179.559 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.415 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.86 -43.15 80.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.464 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -80.12 -28.29 38.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.986 0.422 . . . . 0.0 110.31 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.475 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 1.9 tm? -62.37 -55.97 22.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.554 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -52.27 -38.86 59.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.799 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.477 ' O ' ' OG1' ' B' ' 39' ' ' THR . 30.8 mt-10 -78.81 -27.4 44.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.794 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 tp -66.29 -56.04 13.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.691 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -52.48 -50.2 63.19 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.403 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.451 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 13.6 pt20 -65.88 -25.64 67.27 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.084 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 55.2 m -73.83 -38.42 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.016 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -93.52 -26.58 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.299 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.28 44.98 2.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.865 0.364 . . . . 0.0 110.51 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -68.28 -27.5 66.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.999 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.19 -52.34 4.91 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.454 ' C ' ' H ' ' B' ' 46' ' ' ASP . 12.6 m-85 -45.9 -64.55 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.65 0.262 . . . . 0.0 110.944 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.89 -9.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.049 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.454 ' H ' ' C ' ' B' ' 44' ' ' PHE . 16.4 t70 -105.84 -16.18 14.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.675 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.29 -2.88 21.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.512 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.9 pp0? -99.63 134.38 42.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.745 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -98.36 -3.2 37.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.473 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.512 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 83.8 m-20 -71.81 104.35 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.581 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 57.1 t -80.45 -27.94 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.57 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -72.81 -39.27 66.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.21 -51.41 69.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.584 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.0 p -66.11 -31.85 55.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.788 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -62.3 -40.85 97.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.722 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -72.53 -37.11 68.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.061 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 91.3 t -77.55 -47.97 25.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.173 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.659 ' SD ' ' N ' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -60.15 -44.2 95.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.004 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.659 ' N ' ' SD ' ' B' ' 58' ' ' MET . 23.6 pttt -68.78 -33.29 73.62 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.493 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -52.86 -28.46 23.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.365 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 65.8 mt -67.94 -38.45 82.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.71 -32.14 70.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.698 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -80.05 -37.4 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.596 ' C ' ' H ' ' B' ' 66' ' ' ASP . 1.4 m120 -87.45 24.17 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.778 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -58.73 4.62 0.09 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.596 ' H ' ' C ' ' B' ' 64' ' ' ASN . 50.6 m-20 -34.91 -35.4 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.892 0.377 . . . . 0.0 110.511 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 121.18 -4.45 11.27 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -173.55 136.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 0.0 111.418 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.422 ' CG1' ' NZ ' ' B' ' 30' ' ' LYS . 10.4 m -92.17 -172.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.52 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -126.53 154.41 43.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.197 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -49.16 -53.1 22.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.963 0.411 . . . . 0.0 110.646 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -56.29 -33.57 65.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.486 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -76.13 -30.79 58.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -68.99 -40.55 78.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 31.7 m -75.16 -28.54 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.097 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.82 -39.74 31.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.06 -35.24 49.79 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.046 -0.662 . . . . 0.0 111.945 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.5 m -61.13 -41.91 91.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.281 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.59 -37.36 73.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.519 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.72 -31.27 25.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 85.4 mt -75.53 -36.91 60.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.559 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.4 m -65.77 -55.28 18.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.76 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.489 ' C ' ' H ' ' B' ' 85' ' ' CYS . 12.4 p -54.29 -34.94 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.12 23.69 0.18 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.489 ' H ' ' C ' ' B' ' 83' ' ' VAL . 22.4 t -137.11 -65.29 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.529 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -53.72 -28.46 34.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -45.48 -28.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.578 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 t80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.671 0.272 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -64.19 -29.21 70.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.625 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -48.84 74.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.62 -31.33 69.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.386 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.1 m -68.96 -35.74 77.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.665 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.21 73.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.527 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.2 mmm -68.07 -40.47 82.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.509 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.89 -34.78 60.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.642 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.6 m -59.18 -43.09 92.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.704 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -61.53 -31.51 71.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.416 HD11 HG22 ' A' ' 12' ' ' ILE . 17.7 mm -69.67 -39.82 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.807 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -60.08 -55.38 34.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.706 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.401 ' CG1' ' HH ' ' A' ' 74' ' ' TYR . 7.3 p -63.08 -41.57 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.812 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -55.79 -41.74 74.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.569 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -82.16 -22.18 36.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.566 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.04 -35.73 78.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.729 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -91.98 -7.37 49.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.576 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -76.92 -4.1 42.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.485 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.33 -9.79 66.66 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -68.2 -70.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.734 0.302 . . . . 0.0 110.51 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -115.95 -15.61 11.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.459 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.69 -153.85 19.77 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -138.21 -63.06 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.511 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.515 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 13.0 ptmt -154.8 33.63 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.615 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER 171.53 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.099 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HZ2' ' CB ' ' A' ' 27' ' ' LYS . 8.9 mtmp? -63.98 147.16 52.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.495 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.0 tp -147.08 129.84 16.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.6 m -74.26 148.9 41.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.051 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -69.04 -39.32 79.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.582 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.407 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.83 -38.8 73.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.582 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -80.17 -43.35 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.908 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.28 -33.51 74.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.772 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -51.89 -45.41 64.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.399 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.49 ' O ' ' OG1' ' A' ' 39' ' ' THR . 50.1 mt-10 -79.3 -27.39 42.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.378 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.3 tp -58.06 -55.64 32.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.937 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 38' ' ' GLN . 2.9 pp -50.59 -47.79 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.433 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.405 ' H ' ' HG ' ' A' ' 37' ' ' LEU . 17.2 pt20 -75.46 -25.68 57.63 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.189 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 44.4 m -64.82 -46.94 79.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.283 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -84.53 -26.9 27.73 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.428 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.23 43.95 2.07 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.792 0.33 . . . . 0.0 110.577 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.2 p -68.46 -27.23 65.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.22 -50.71 9.74 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.446 ' C ' ' H ' ' A' ' 46' ' ' ASP . 13.2 m-85 -46.35 -65.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.631 0.253 . . . . 0.0 110.874 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.21 -8.51 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.78 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.446 ' H ' ' C ' ' A' ' 44' ' ' PHE . 21.9 t0 -105.65 -14.36 15.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.67 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.31 -2.99 21.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.735 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.474 ' OE1' ' O ' ' A' ' 50' ' ' ASP . 5.3 pp0? -102.85 138.73 39.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.893 0.378 . . . . 0.0 110.658 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -95.84 -4.14 44.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.598 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.474 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 72.3 m-20 -75.46 92.71 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.585 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.435 ' O ' ' CG ' ' A' ' 55' ' ' ASP . 76.0 t -73.79 -32.59 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.662 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -72.56 -36.41 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.75 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.26 -50.09 64.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.7 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.11 -34.73 65.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.404 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 51' ' ' VAL . 56.1 m-20 -57.02 -42.87 81.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.488 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -64.81 -39.29 93.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.539 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.4 t -73.82 -30.67 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.59 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.4 ttt -72.61 -51.49 19.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.386 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.0 -31.5 72.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.495 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.31 -28.64 29.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.258 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.73 -36.95 76.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -68.5 -28.52 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -75.47 -40.79 56.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.53 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -89.3 49.36 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.711 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . -83.31 8.02 65.85 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' GLY . 9.9 t70 -36.49 -35.03 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.887 0.375 . . . . 0.0 110.477 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 120.25 -14.56 10.19 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -151.12 132.36 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.975 0.417 . . . . 0.0 110.556 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -92.52 -154.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -147.28 138.27 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.933 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -48.52 -49.27 36.79 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.596 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -52.68 -35.97 56.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 110.407 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -75.84 -30.69 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.593 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.401 ' HH ' ' CG1' ' A' ' 14' ' ' VAL . 21.1 t80 -64.9 -40.76 95.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.889 0.376 . . . . 0.0 110.794 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.61 -30.09 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.71 -39.1 31.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.17 -34.99 49.3 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.856 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -61.2 -41.69 90.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.474 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.17 -39.11 68.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.74 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.14 -28.98 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.2 mt -75.25 -33.73 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.5 m -69.56 -55.62 9.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.758 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 p -57.93 -26.17 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.579 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.58 7.35 5.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.656 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t -127.38 -53.63 1.37 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.516 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.409 ' C ' ' H ' ' A' ' 88' ' ' PHE . 89.9 m-20 -52.05 -30.95 27.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.584 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -55.35 -11.65 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.634 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.409 ' H ' ' C ' ' A' ' 86' ' ' ASN . 93.1 t80 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.775 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.761 0.315 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -64.29 -29.28 70.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.494 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -48.72 74.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.417 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.74 -31.07 68.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.484 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 57.9 m -69.08 -35.72 76.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.638 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.35 -42.18 73.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 69.7 mmm -68.07 -40.56 82.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.575 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.71 -34.93 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.651 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.4 m -59.07 -43.1 91.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.761 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.7 mm? -61.57 -31.5 71.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.435 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.436 HG22 HD11 ' B' ' 12' ' ' ILE . 18.0 mm -69.69 -39.88 78.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.709 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -60.01 -55.4 34.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.11 -41.63 93.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -55.71 -41.85 74.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -81.99 -22.25 36.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.62 78.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.766 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -91.99 -7.35 49.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.696 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.9 m -76.91 -4.12 42.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.45 -9.66 66.59 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -68.2 -70.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.32 . . . . 0.0 110.462 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -115.87 -15.67 11.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.69 -153.89 19.85 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -138.18 -63.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 0.0 110.555 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.508 ' O ' ' CD2' ' B' ' 26' ' ' TYR . 12.9 ptmt -154.91 33.45 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.683 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' B' ' 25' ' ' LYS . 0.5 OUTLIER 171.64 -48.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.237 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.43 ' CB ' ' HZ2' ' B' ' 27' ' ' LYS . 8.9 mtmp? -64.01 147.08 52.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.47 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.7 tp -146.97 129.66 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.625 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 17.8 m -74.21 148.92 41.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.093 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -69.12 -39.23 79.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.563 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.412 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.98 -38.63 73.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.595 -179.571 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -80.27 -43.33 21.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.22 -33.71 75.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.892 0.377 . . . . 0.0 110.785 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -51.79 -45.46 63.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.404 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.475 ' O ' ' OG1' ' B' ' 39' ' ' THR . 50.1 mt-10 -79.35 -27.24 42.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.326 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 47.3 tp -58.1 -55.91 28.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.781 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.412 ' HG ' ' H ' ' B' ' 38' ' ' GLN . 2.9 pp -50.47 -47.82 56.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.403 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.412 ' H ' ' HG ' ' B' ' 37' ' ' LEU . 17.2 pt20 -75.45 -25.64 57.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.782 0.325 . . . . 0.0 111.177 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 44.7 m -64.92 -46.86 79.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.25 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -84.73 -26.85 27.37 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.348 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.32 44.11 2.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.868 0.366 . . . . 0.0 110.648 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.3 p -68.59 -27.31 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.619 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.23 -50.63 9.89 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.455 ' C ' ' H ' ' B' ' 46' ' ' ASP . 13.1 m-85 -46.4 -65.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.618 0.247 . . . . 0.0 110.74 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.32 -8.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.764 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' B' ' 44' ' ' PHE . 21.9 t0 -105.64 -14.38 15.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.671 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.33 -2.92 21.73 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.679 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.469 ' OE1' ' O ' ' B' ' 50' ' ' ASP . 5.3 pp0? -102.96 138.64 39.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -95.81 -4.07 44.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.659 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.469 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 71.9 m-20 -75.44 92.64 2.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.521 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.444 ' O ' ' CG ' ' B' ' 55' ' ' ASP . 75.3 t -73.96 -32.37 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.627 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -72.71 -36.43 67.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.667 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -50.05 65.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -69.17 -34.7 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.435 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' B' ' 51' ' ' VAL . 56.2 m-20 -56.87 -42.94 80.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.529 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -64.81 -39.28 93.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.4 t -73.87 -30.51 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.689 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.5 ttt -72.56 -51.48 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.409 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -65.07 -31.51 72.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.444 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.36 -28.51 29.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.287 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.9 -36.95 75.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.768 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -68.49 -28.49 67.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.579 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -75.45 -40.77 57.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.575 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -89.33 49.46 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.576 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' B' ' 66' ' ' ASP . . . -83.37 8.0 66.15 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' B' ' 65' ' ' GLY . 9.9 t70 -36.57 -34.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.771 0.32 . . . . 0.0 110.424 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 120.25 -14.43 10.2 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -151.2 132.36 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.968 0.413 . . . . 0.0 110.473 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -93.32 -154.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.837 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -147.28 138.47 23.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.932 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -48.58 -49.24 37.5 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.563 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -52.83 -35.89 57.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 110.351 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -75.88 -30.76 58.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.629 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -64.8 -40.78 95.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.816 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.6 -30.08 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.71 -39.05 31.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.17 -34.92 49.38 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.039 -0.664 . . . . 0.0 111.922 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.24 -41.77 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.349 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.09 -39.13 69.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.753 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.23 -28.91 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.505 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.3 mt -75.31 -33.5 61.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.71 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.1 m -69.68 -55.62 9.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 p -57.92 -26.16 27.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.612 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.49 7.19 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.633 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t -127.31 -53.69 1.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.522 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -52.17 -30.88 28.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -55.41 -11.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.756 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 93.1 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.702 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.827 0.346 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.415 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 56.7 mp0 -57.6 -39.37 76.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.528 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.48 -48.46 81.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.238 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.92 -32.23 73.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.232 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.2 m -69.42 -34.94 75.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.703 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.34 -46.57 76.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.546 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.2 mmm -67.1 -36.83 82.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.441 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -56.54 -34.03 66.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.627 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.0 m -60.79 -43.23 98.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.684 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -58.88 -31.39 68.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.474 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.8 mm -70.24 -41.94 78.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.803 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -59.87 -55.45 34.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.04 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 p -62.1 -39.95 85.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.671 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.476 ' O ' ' OG ' ' A' ' 19' ' ' SER . 72.3 t80 -57.41 -42.14 81.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.58 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -79.1 -18.29 53.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.657 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.7 71.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -89.66 -10.4 45.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.781 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 50.6 m -76.12 -2.21 29.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.541 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.56 3.88 68.89 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -75.52 -81.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.61 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 23' ' ' GLY . 18.0 mt-10 -102.67 -51.62 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.52 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.49 ' O ' ' OD1' ' A' ' 24' ' ' ASP . . . -57.47 -129.57 0.01 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 23' ' ' GLY . 77.7 m-20 -150.8 -99.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.559 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -97.16 -74.12 0.58 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.632 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -93.42 24.91 3.67 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.404 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HB2' ' H ' ' A' ' 24' ' ' ASP . 42.8 mtmt -118.74 127.94 54.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.448 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' N ' ' OE2' ' A' ' 68' ' ' GLU . 36.1 tp -136.37 123.01 21.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -75.24 147.01 40.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.949 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.545 ' NZ ' ' OD1' ' A' ' 64' ' ' ASN . 39.3 tptt -67.93 -29.91 69.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.379 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -56.78 -44.94 82.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.907 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -80.43 -28.58 37.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.815 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 3.0 tm? -55.14 -49.67 71.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.596 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -51.21 -35.4 36.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.647 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' A' ' 39' ' ' THR . 70.2 mm-40 -79.36 -27.56 41.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 tp -65.33 -56.36 13.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.565 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.422 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -51.11 -49.44 60.75 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.19 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.422 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 7.2 pt20 -69.07 -25.65 64.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.961 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 21.4 m -71.31 -45.13 63.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.212 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -88.44 -27.21 21.68 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.386 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.98 47.27 1.85 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.252 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.444 ' HG ' ' N ' ' A' ' 43' ' ' GLY . 1.2 p -67.74 -39.43 84.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.593 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.444 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -85.67 -33.04 17.1 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -54.59 30.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.707 0.289 . . . . 0.0 110.24 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.17 -8.87 49.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 33.1 t0 -94.43 -13.68 25.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.9 -1.62 48.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.781 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.583 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -104.74 136.25 44.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.646 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -95.01 -6.1 43.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.589 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.583 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 69.7 m-20 -70.02 106.22 3.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.572 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 82.2 t -78.51 -30.26 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -72.39 -36.61 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.683 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -51.42 69.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.69 -34.23 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -56.67 -43.71 80.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.472 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.92 -37.52 87.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -76.6 -30.55 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.582 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.2 ttt -74.69 -49.99 19.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.318 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -63.97 -31.76 73.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.25 -35.75 60.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.577 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.21 -38.63 87.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.489 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -72.41 -28.49 63.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.613 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.5 -38.4 71.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.19 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.587 ' C ' ' H ' ' A' ' 66' ' ' ASP . 1.1 m-80 -65.51 -96.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.391 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . 70.08 -24.82 0.43 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.587 ' H ' ' C ' ' A' ' 64' ' ' ASN . 54.5 t0 -37.56 -32.49 0.05 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.972 0.415 . . . . 0.0 110.161 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 101.24 -9.91 57.93 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.491 ' OE2' ' N ' ' A' ' 28' ' ' LEU . 30.3 tp10 -143.06 132.51 23.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.172 0.511 . . . . 0.0 110.46 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -92.59 -154.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.211 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -152.08 140.03 20.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.97 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -48.68 -52.93 20.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.951 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -58.37 -33.75 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.798 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -75.59 -30.89 59.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -69.02 -42.96 75.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.867 0.365 . . . . 0.0 110.92 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.01 -27.67 27.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -75.56 -37.44 37.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.248 -178.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.2 -42.35 46.5 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.939 -0.704 . . . . 0.0 111.546 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.1 m -59.36 -35.61 59.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.307 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.77 -40.65 69.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.557 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.84 -28.26 22.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.618 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.4 mt -72.52 -34.1 67.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.584 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.6 m -70.42 -54.16 13.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.5 -24.83 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.614 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.51 11.12 4.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.787 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.4 t -134.57 -49.92 0.78 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.649 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -52.18 -32.76 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.61 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -63.24 -12.04 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.461 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.2 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.683 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.734 0.302 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 56.7 mp0 -57.55 -39.48 76.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -48.6 81.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.242 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.04 -32.19 73.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.054 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.1 m -69.39 -34.97 75.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.715 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.47 -46.54 76.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.481 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 58.2 mmm -67.13 -36.65 82.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.473 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.401 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 6.1 tt0 -56.71 -33.96 66.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.542 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 22.7 m -60.78 -43.18 98.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.77 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -58.98 -31.34 68.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.49 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.0 mm -70.31 -41.92 78.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.713 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 53.3 m-80 -59.8 -55.63 31.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.871 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 p -62.06 -39.72 84.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.482 ' O ' ' OG ' ' B' ' 19' ' ' SER . 72.8 t80 -57.7 -42.06 82.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.449 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -79.11 -18.27 53.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.631 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.65 71.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -89.66 -10.44 45.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 49.8 m -76.17 -2.16 29.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.397 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.47 3.95 69.26 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -75.61 -81.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 110.617 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' B' ' 23' ' ' GLY . 18.2 mt-10 -102.72 -51.58 3.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.481 ' O ' ' OD1' ' B' ' 24' ' ' ASP . . . -57.46 -129.33 0.01 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.481 ' OD1' ' O ' ' B' ' 23' ' ' GLY . 77.6 m-20 -150.97 -99.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.778 0.323 . . . . 0.0 110.549 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -97.08 -74.21 0.58 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.637 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -93.34 24.79 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.334 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.407 ' HB2' ' H ' ' B' ' 24' ' ' ASP . 42.8 mtmt -118.72 127.92 54.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.434 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.489 ' N ' ' OE2' ' B' ' 68' ' ' GLU . 36.1 tp -136.32 123.1 21.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.349 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.0 p -75.44 146.99 40.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.016 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.552 ' NZ ' ' OD1' ' B' ' 64' ' ' ASN . 39.2 tptt -67.88 -30.01 69.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.34 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -56.62 -45.06 81.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.919 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -80.49 -28.59 37.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.472 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 3.0 tm? -54.99 -49.81 70.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.579 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -51.0 -35.53 34.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.688 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.477 ' O ' ' OG1' ' B' ' 39' ' ' THR . 70.1 mm-40 -79.44 -27.5 41.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 19.9 tp -65.24 -56.4 12.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.644 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.34 -49.28 61.72 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.181 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.429 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 7.2 pt20 -69.0 -25.65 64.62 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.987 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 21.3 m -71.31 -45.07 63.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.252 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -88.58 -27.18 21.54 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.257 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.93 47.25 1.85 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.83 0.347 . . . . 0.0 110.203 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.441 ' HG ' ' N ' ' B' ' 43' ' ' GLY . 1.2 p -67.76 -39.36 84.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.631 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.441 ' N ' ' HG ' ' B' ' 42' ' ' SER . . . -85.82 -32.96 16.82 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -54.49 32.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.253 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.44 -8.56 47.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.777 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 33.8 t0 -94.7 -13.71 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.588 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.01 -1.57 48.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.727 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.584 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 0.9 OUTLIER -104.65 136.18 44.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.86 0.362 . . . . 0.0 110.736 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -94.91 -6.11 43.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.584 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 69.6 m-20 -70.01 106.23 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.637 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 81.8 t -78.52 -30.24 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.493 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -72.38 -36.72 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.645 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.5 69.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.72 -34.25 68.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -56.66 -43.73 80.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.465 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.9 -37.55 87.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 62.1 t -76.49 -30.62 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.585 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.2 ttt -74.66 -49.96 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.354 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -63.96 -31.66 72.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.572 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.37 -35.71 60.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.58 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.27 -38.6 87.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.516 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -72.3 -28.69 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.583 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -71.47 -38.35 71.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.25 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.592 ' C ' ' H ' ' B' ' 66' ' ' ASP . 1.1 m-80 -65.4 -96.65 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.419 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . 70.11 -24.83 0.43 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.592 ' H ' ' C ' ' B' ' 64' ' ' ASN . 54.5 t0 -37.56 -32.47 0.05 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.906 0.384 . . . . 0.0 110.102 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 101.27 -10.69 58.24 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' B' ' 28' ' ' LEU . 30.0 tp10 -141.75 132.89 26.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.944 0.402 . . . . 0.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -93.9 -154.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.001 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -151.96 140.2 20.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.918 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -48.6 -53.0 20.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.96 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -58.4 -33.73 69.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -75.58 -30.91 59.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.011 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -69.18 -42.66 75.56 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.961 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -72.17 -27.64 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -75.5 -37.38 37.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 120.411 -0.515 . . . . 0.0 112.354 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.24 -42.33 46.2 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.554 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 19.0 m -59.37 -35.5 58.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.368 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.92 -40.59 68.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.91 -28.16 22.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.601 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.1 mt -72.52 -34.14 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.598 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.6 m -70.51 -54.12 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.792 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.56 -24.78 34.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.57 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.58 11.12 4.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.3 t -134.49 -49.86 0.78 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.603 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -52.38 -32.61 39.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.579 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -63.18 -12.13 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.587 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 50.8 t80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.551 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.404 ' HG ' ' N ' ' A' ' 3' ' ' GLU . 46.6 t . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.686 0.279 . . . . 0.0 110.613 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.488 ' O ' ' OG1' ' A' ' 6' ' ' THR . 85.1 tt0 -56.25 -34.79 66.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.585 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 2.7 tm? -68.56 -47.58 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.222 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -61.92 -32.89 73.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 17.6 p -69.02 -36.91 78.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.654 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.43 72.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.421 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.0 mmm -69.27 -38.44 78.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.518 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.7 -35.1 60.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.7 m -60.36 -43.79 96.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.72 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -56.28 -31.21 63.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.583 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.427 HD13 HG21 ' A' ' 12' ' ' ILE . 10.2 mm -71.28 -44.5 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -60.29 -55.66 31.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.781 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -62.36 -41.1 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.441 ' O ' ' OG ' ' A' ' 19' ' ' SER . 81.2 t80 -59.76 -42.19 92.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.592 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' SER . 3.7 t-80 -73.23 -47.36 43.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.5 -38.71 6.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.807 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -88.21 -11.92 45.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.738 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' HIS . 38.3 m -73.85 0.66 12.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.452 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.82 -13.05 83.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.58 ' O ' ' N ' ' A' ' 23' ' ' GLY . 26.1 mmtp -84.0 109.77 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.646 0.26 . . . . 0.0 110.512 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 23' ' ' GLY . 67.6 mm-40 59.93 -70.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.65 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 21' ' ' LYS . . . -35.52 158.08 0.01 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -82.99 -67.63 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.656 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -141.51 -63.68 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -91.62 5.89 47.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -103.37 136.35 43.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.527 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -140.16 120.95 14.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.182 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -57.46 144.9 34.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.298 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.519 ' HZ1' ' CD2' ' A' ' 61' ' ' LEU . 48.9 tptt -65.76 -35.94 82.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.125 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -57.28 -42.39 81.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.837 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -80.24 -28.68 38.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.502 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 3.1 tm? -62.92 -55.31 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.638 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -52.03 -34.65 44.09 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.628 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' A' ' 39' ' ' THR . 43.8 mt-10 -79.42 -27.33 41.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.7 tp -65.22 -55.38 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.752 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -50.72 -50.1 56.07 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.169 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.458 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 12.8 pt20 -65.86 -25.66 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 110.793 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 96.8 m -75.26 -38.1 60.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.175 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -93.69 -27.32 16.61 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.508 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -115.72 43.99 1.98 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 110.456 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.0 p -68.0 -27.25 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.754 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.48 -50.93 6.91 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.444 ' C ' ' H ' ' A' ' 46' ' ' ASP . 15.3 m-85 -48.77 -64.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.676 0.274 . . . . 0.0 110.813 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.46 -9.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.795 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' A' ' 44' ' ' PHE . 56.1 t0 -105.47 -16.76 14.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.643 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.93 -2.84 28.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.609 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.562 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.8 pp0? -105.16 143.81 32.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.689 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -109.45 2.6 20.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.492 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.562 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 88.4 m-20 -73.33 106.07 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.744 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.4 t -73.47 -34.45 42.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.71 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -70.23 -37.2 74.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.48 -51.4 70.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.787 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.12 -33.04 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.608 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.1 -42.72 95.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.605 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -62.89 -38.22 90.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.685 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -77.21 -30.39 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.588 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.1 ttt -68.68 -50.94 47.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.241 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -66.37 -31.73 72.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.58 -31.3 46.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.602 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.519 ' CD2' ' HZ1' ' A' ' 30' ' ' LYS . 17.3 mt -64.47 -35.99 82.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -74.73 -27.81 60.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.76 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.14 -40.78 86.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.133 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -100.4 104.95 16.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.372 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -123.57 -4.54 8.12 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -41.84 -20.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.95 0.405 . . . . 0.0 110.372 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 99.65 -9.89 60.65 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -150.91 132.85 15.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.379 . . . . 0.0 110.635 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -92.41 -154.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.133 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -142.96 148.24 36.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.216 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -50.5 -47.38 57.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -54.85 -33.51 61.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -75.49 -30.58 59.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -69.39 -38.0 77.79 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.24 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -75.58 -28.64 19.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.57 -40.36 33.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.58 -35.85 45.26 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.303 -0.559 . . . . 0.0 112.254 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.5 m -58.1 -40.17 75.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.498 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.89 -40.57 63.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.674 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.79 -29.06 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.677 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -75.53 -35.87 60.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.691 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.8 m -66.25 -55.61 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.898 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -51.84 -25.52 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.26 28.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 t -146.81 -51.75 0.21 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.516 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -51.74 -31.82 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -44.43 -26.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.534 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.9 t80 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.517 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.412 ' HG ' ' N ' ' B' ' 3' ' ' GLU . 46.7 t . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' B' ' 6' ' ' THR . 85.1 tt0 -56.15 -34.9 66.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.521 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 2.7 tm? -68.5 -47.44 67.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -61.94 -33.0 73.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.515 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 17.8 p -69.01 -36.76 78.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.7 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.59 -41.33 73.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 49.0 mmm -69.36 -38.48 78.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.477 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.69 -35.0 60.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.557 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.9 m -60.4 -43.81 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.7 mm? -56.24 -31.42 63.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.485 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 10.0 mm -71.12 -44.53 74.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -60.32 -55.65 31.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 p -62.19 -41.38 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.574 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.449 ' O ' ' OG ' ' B' ' 19' ' ' SER . 81.1 t80 -59.63 -42.13 92.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' B' ' 19' ' ' SER . 3.8 t-80 -73.34 -47.35 43.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.45 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.57 -38.69 6.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.779 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -88.14 -11.86 45.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.705 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 38.5 m -73.9 0.66 12.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.489 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.88 -13.04 83.83 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.573 ' O ' ' N ' ' B' ' 23' ' ' GLY . 26.1 mmtp -83.89 109.71 17.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.481 ' O ' ' O ' ' B' ' 23' ' ' GLY . 67.8 mm-40 59.95 -70.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.623 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' B' ' 21' ' ' LYS . . . -35.54 158.14 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -83.02 -67.55 0.78 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.748 0.309 . . . . 0.0 110.752 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -141.51 -63.52 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.482 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -91.75 5.82 48.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.468 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -103.17 136.47 42.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.553 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -140.23 120.73 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.276 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -57.2 144.94 33.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.307 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.516 ' HZ1' ' CD2' ' B' ' 61' ' ' LEU . 48.9 tptt -65.84 -36.03 82.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.054 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -57.35 -42.24 81.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.869 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -80.36 -28.53 38.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.038 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 3.1 tm? -63.02 -55.15 28.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.686 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -52.13 -34.75 45.84 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.565 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' B' ' 39' ' ' THR . 43.8 mt-10 -79.25 -27.4 42.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.0 tp -65.1 -55.39 19.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.839 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -50.84 -50.03 57.52 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.147 -178.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.453 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 12.8 pt20 -65.88 -25.58 67.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.819 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 96.8 m -75.3 -38.06 60.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.235 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -93.87 -27.22 16.54 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.425 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -115.81 44.0 1.99 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.741 0.305 . . . . 0.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.1 p -67.97 -27.3 66.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.807 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.5 -50.89 6.94 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.449 ' C ' ' H ' ' B' ' 46' ' ' ASP . 15.6 m-85 -48.82 -64.69 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.756 -0.261 . . . . 0.0 110.931 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.6 -9.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.766 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' B' ' 44' ' ' PHE . 56.1 t0 -105.51 -16.71 14.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.604 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.9 -2.78 29.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.707 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.566 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.8 pp0? -105.27 143.81 32.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.621 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -109.41 2.54 20.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.497 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.566 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 88.4 m-20 -73.27 106.04 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.689 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 94.9 t -73.44 -34.48 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.751 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -70.28 -37.25 74.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.713 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.39 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.722 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.08 -33.11 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.08 -42.73 95.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.575 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -62.96 -38.23 90.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -77.14 -30.57 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.2 ttt -68.58 -50.98 47.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.259 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -66.39 -31.53 72.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.476 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.57 -31.58 47.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.489 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.516 ' CD2' ' HZ1' ' B' ' 30' ' ' LYS . 17.1 mt -64.33 -35.99 82.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.481 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.8 -27.72 60.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.738 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.21 -40.73 86.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.216 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -100.42 105.0 16.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.353 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -123.54 -4.61 8.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -41.65 -20.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.995 0.426 . . . . 0.0 110.385 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 99.59 -9.63 60.64 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -150.97 133.15 15.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.93 0.395 . . . . 0.0 110.611 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -154.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.806 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -143.0 148.3 36.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.216 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -50.59 -47.25 58.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.854 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -54.96 -33.5 62.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.777 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -75.58 -30.58 59.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.157 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -69.27 -38.02 78.18 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.396 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.56 -28.58 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -40.35 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.62 -35.97 44.8 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.319 -0.552 . . . . 0.0 112.134 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 29.4 m -58.07 -40.16 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.49 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.89 -40.49 63.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.751 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.97 -28.88 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.606 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -75.56 -35.8 60.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.784 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.1 m -66.36 -55.56 15.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.772 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -52.03 -25.4 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.571 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.36 28.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.645 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.8 t -146.89 -51.6 0.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -51.67 -31.94 27.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.515 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -44.46 -26.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.589 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 88.2 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.648 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.434 ' O ' ' OG1' ' A' ' 6' ' ' THR . 48.4 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.809 0.338 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -70.49 -32.0 69.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.636 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -48.69 79.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.08 -31.23 67.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.38 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 2' ' ' SER . 28.9 m -68.97 -35.25 76.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.61 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.16 76.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.623 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.5 mmm -68.83 -33.36 73.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -58.16 -35.64 71.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.705 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.6 m -59.8 -38.24 81.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.6 mm? -64.78 -31.29 72.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.632 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.406 HD11 HG22 ' A' ' 12' ' ' ILE . 11.0 mm -71.01 -42.22 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.782 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -59.96 -55.44 33.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.85 -41.82 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.713 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -59.47 -42.21 91.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.554 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -77.0 -24.73 52.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.606 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.04 96.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.479 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -86.65 -12.93 47.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.366 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.5 m -65.8 -27.48 68.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.444 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.06 -10.66 78.29 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -61.86 -73.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.629 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -121.03 -35.97 3.22 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.84 171.63 4.51 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 26' ' ' TYR . 81.2 m-20 -90.8 67.63 6.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.601 0.238 . . . . 0.0 110.625 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mttm 68.29 -44.67 0.51 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.039 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.467 ' H ' ' C ' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -100.17 -50.1 4.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.704 0.288 . . . . 0.0 110.485 -179.698 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HB2' ' H ' ' A' ' 24' ' ' ASP . 39.7 mtmt -61.91 170.51 2.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.8 tp -155.19 126.22 7.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.19 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.7 p -68.69 150.33 48.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.392 . . . . 0.0 111.221 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -65.99 -36.15 82.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.293 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.02 -39.35 74.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.739 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -81.63 -40.01 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.564 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.6 -43.5 93.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.844 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -52.13 -40.46 61.37 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.855 -179.329 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' O ' ' OG1' ' A' ' 39' ' ' THR . 94.4 mt-10 -79.9 -27.25 39.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.173 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.7 tp -63.97 -50.86 66.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.879 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.448 ' HG ' ' H ' ' A' ' 38' ' ' GLN . 3.1 pp -50.63 -44.78 57.38 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.248 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.465 ' O ' ' OG ' ' A' ' 42' ' ' SER . 18.5 pt20 -77.12 -25.46 52.13 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.987 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 99.1 m -66.76 -43.53 83.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.59 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -88.06 -26.82 22.35 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.509 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.61 44.97 1.91 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.732 0.301 . . . . 0.0 110.515 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 1.1 m -68.68 -28.07 66.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.37 -46.38 26.55 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.439 -0.664 . . . . 0.0 111.439 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.412 ' C ' ' H ' ' A' ' 46' ' ' ASP . 10.2 m-85 -53.29 -62.68 1.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.812 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -56.7 -9.09 0.68 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.8 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 44' ' ' PHE . 58.1 m-20 -103.22 -11.34 18.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.525 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.0 -2.5 15.06 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.965 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.7 pp0? -97.84 135.72 39.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.706 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -98.59 -15.28 19.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.503 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.517 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 85.9 m-20 -61.85 105.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.646 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.443 ' O ' ' CG ' ' A' ' 55' ' ' ASP . 78.9 t -78.89 -31.84 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.648 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -72.51 -33.36 66.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.705 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.72 -47.74 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.6 p -72.28 -32.13 41.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.667 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 51' ' ' VAL . 87.5 m-20 -57.48 -49.54 75.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.548 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -64.21 -33.86 76.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.673 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -76.96 -30.57 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.0 ttp -69.69 -51.54 33.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.455 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -64.12 -32.26 73.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.488 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.548 ' OE2' ' ND2' ' A' ' 64' ' ' ASN . 13.7 tm-20 -53.53 -34.86 59.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.7 mt -71.12 -28.95 64.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.95 -49.83 41.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.112 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -65.27 -36.86 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.772 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.548 ' ND2' ' OE2' ' A' ' 60' ' ' GLU . 36.4 m-80 -86.86 37.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.532 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.87 17.59 49.58 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.77 -42.15 34.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.547 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.27 -16.47 4.39 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -146.8 131.57 17.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.334 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -93.31 -154.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.484 0.659 . . . . 0.0 111.383 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -146.56 132.8 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.378 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -47.98 -46.38 32.49 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.392 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -52.35 -37.26 55.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.047 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.66 -30.45 59.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.565 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -63.64 -40.64 97.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.1 m -75.51 -30.57 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -39.43 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.19 -34.37 49.54 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.91 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.2 m -62.78 -40.99 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.239 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.65 -39.91 66.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.25 -28.9 2.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.683 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.3 mt -75.17 -37.47 61.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.646 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.9 m -67.62 -55.37 13.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.772 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.0 p -57.77 -18.13 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.625 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.97 29.96 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.625 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 t -149.38 -50.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -51.77 -34.5 39.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.69 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -47.95 -22.19 0.55 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.7 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.5 t80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.428 ' O ' ' OG1' ' B' ' 6' ' ' THR . 47.6 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.762 0.315 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -70.7 -31.92 68.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.532 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -48.5 80.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.33 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.31 -31.13 67.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.303 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' B' ' 2' ' ' SER . 28.3 m -68.97 -35.3 76.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.629 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.13 75.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.65 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 66.6 mmm -68.82 -33.44 73.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.485 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -58.05 -35.77 71.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.745 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.2 m -59.79 -38.02 80.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.998 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.6 mm? -64.85 -31.3 72.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.635 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.405 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 10.8 mm -70.95 -42.26 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.799 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -60.01 -55.44 34.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.9 -41.84 94.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.624 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -59.38 -42.19 91.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.616 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -77.02 -24.73 52.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.18 96.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -86.54 -12.97 47.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.451 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.0 m -65.66 -27.64 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.501 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.93 -10.65 77.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -62.0 -73.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.764 0.316 . . . . 0.0 110.627 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -121.09 -35.99 3.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.488 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.73 171.59 4.41 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' B' ' 26' ' ' TYR . 81.3 m-20 -90.91 67.64 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.589 0.233 . . . . 0.0 110.566 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 mttm 68.25 -44.49 0.5 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.963 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.47 ' H ' ' C ' ' B' ' 24' ' ' ASP . 0.7 OUTLIER -100.2 -50.16 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.531 -179.747 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.411 ' HB2' ' H ' ' B' ' 24' ' ' ASP . 39.8 mtmt -61.9 170.61 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -155.3 126.1 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.275 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 85.3 p -68.65 150.49 47.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -66.08 -36.1 82.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.263 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.416 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.12 -39.25 74.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.84 -179.767 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -81.55 -40.13 23.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.644 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.47 -43.44 94.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.908 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.439 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 0.2 OUTLIER -52.14 -40.44 61.38 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.908 -179.325 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.487 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.4 mt-10 -79.9 -27.38 39.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.193 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 35.1 tp -63.95 -50.77 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.875 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.438 ' HG ' ' H ' ' B' ' 38' ' ' GLN . 3.1 pp -50.69 -44.78 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.247 -179.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.48 ' O ' ' OG ' ' B' ' 42' ' ' SER . 18.6 pt20 -76.81 -25.73 53.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.794 0.33 . . . . 0.0 111.084 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 98.7 m -66.68 -43.64 83.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.586 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -87.97 -26.87 22.44 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.504 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.62 44.93 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.473 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 1.1 m -68.5 -28.27 66.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.28 -46.47 26.69 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.427 ' C ' ' H ' ' B' ' 46' ' ' ASP . 10.3 m-85 -53.22 -62.67 1.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.666 0.269 . . . . 0.0 110.873 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -56.78 -9.01 0.68 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.747 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' B' ' 44' ' ' PHE . 58.3 m-20 -103.32 -11.3 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.543 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.09 -2.63 14.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.864 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.515 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.7 pp0? -97.81 135.63 39.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.648 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -98.59 -15.26 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.486 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.515 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 86.1 m-20 -61.8 105.16 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . 0.442 ' O ' ' CG ' ' B' ' 55' ' ' ASP . 79.4 t -78.81 -31.86 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.668 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -72.59 -33.32 66.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.66 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.6 -47.8 77.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.7 p -72.24 -32.09 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.696 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' B' ' 51' ' ' VAL . 87.2 m-20 -57.46 -49.52 75.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.559 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -64.2 -33.95 76.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.587 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.5 t -76.94 -30.6 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.708 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.1 ttp -69.69 -51.42 34.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.478 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -64.16 -32.29 73.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.491 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.543 ' OE2' ' ND2' ' B' ' 64' ' ' ASN . 13.7 tm-20 -53.51 -34.85 59.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 25.3 mt -71.17 -28.9 64.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.91 -50.02 39.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.094 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -65.2 -36.82 85.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.837 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.543 ' ND2' ' OE2' ' B' ' 60' ' ' GLU . 36.5 m-80 -86.81 37.87 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.563 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.81 17.6 49.2 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.85 -41.93 34.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.743 0.306 . . . . 0.0 110.51 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.12 -16.33 4.44 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -146.69 131.88 18.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.763 0.316 . . . . 0.0 110.312 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.19 -153.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.174 0.511 . . . . 0.0 111.056 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -146.4 132.97 19.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.43 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.405 ' CZ ' ' CD1' ' B' ' 12' ' ' ILE . 34.8 t80 -47.92 -46.5 32.05 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.5 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -52.3 -37.21 55.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.092 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.76 -30.54 59.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.471 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -63.63 -40.58 97.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 31.0 m -75.54 -30.52 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -39.44 32.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.24 -34.3 49.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.908 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.1 m -62.66 -41.03 90.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.274 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.76 -39.91 66.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.808 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.23 -28.87 2.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.661 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.1 mt -75.19 -37.45 61.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.705 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.2 m -67.68 -55.35 13.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.706 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 9.1 p -57.91 -18.04 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.608 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.95 30.01 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 34.8 t -149.48 -50.43 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -51.89 -34.5 41.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.627 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -47.84 -22.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.723 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.2 t80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.748 -179.869 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.803 0.335 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' A' ' 6' ' ' THR . 93.1 mt-10 -57.46 -33.81 68.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.645 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.516 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 3.0 tm? -67.95 -48.68 65.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.088 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.76 -37.74 76.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.7 p -64.3 -35.13 79.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.534 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.49 -41.49 73.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.44 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.3 mmm -69.37 -36.87 77.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.396 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -57.21 -33.65 67.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.1 m -60.63 -42.47 96.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.616 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -59.21 -31.5 69.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.534 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.433 HG23 HD13 ' A' ' 12' ' ' ILE . 10.9 mm -70.87 -44.28 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -59.97 -55.58 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.22 -36.74 70.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.615 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.477 ' O ' ' OG ' ' A' ' 19' ' ' SER . 43.0 t80 -60.85 -42.85 98.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -84.64 -18.64 34.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.714 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.93 73.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -93.38 -11.57 31.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.918 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.477 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 54.1 m -73.93 -1.59 20.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.494 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.66 -0.35 87.89 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -72.55 -79.59 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -106.06 -45.38 4.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.94 171.85 9.22 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -91.06 -61.08 1.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.904 0.383 . . . . 0.0 110.619 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' C ' ' H ' ' A' ' 27' ' ' LYS . 74.9 mttt -141.18 -91.95 0.15 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.604 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.68 2.43 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.3 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 25' ' ' LYS . 37.5 mtmt -96.39 134.54 39.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.742 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.9 tp -140.58 120.64 13.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.341 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.22 146.87 40.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.604 ' HZ1' ' CB ' ' A' ' 64' ' ' ASN . 24.4 tptt -68.84 -29.75 68.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.322 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -56.41 -44.55 80.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.98 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -80.49 -28.48 37.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.47 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 2.4 tm? -55.28 -53.15 59.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.827 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -51.34 -36.39 42.63 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.651 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' A' ' 39' ' ' THR . 97.7 mt-10 -79.39 -27.16 41.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.783 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 tp -66.83 -56.37 10.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.932 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.439 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.53 -48.94 62.83 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.314 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.439 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 11.3 pt20 -66.33 -25.67 66.94 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.868 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 68.1 m -74.12 -37.68 64.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.144 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.59 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 1.5 mp0 -93.38 -26.49 17.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.857 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.45 46.04 2.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 110.466 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -68.31 -33.42 74.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.604 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.71 -39.92 7.95 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.57 -61.75 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 110.372 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.39 -10.62 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.672 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -96.61 -16.6 20.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.587 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.63 -2.83 43.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.639 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.513 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.7 pp0? -105.29 136.07 45.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.54 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -99.92 -0.48 39.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.513 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 62.4 m-20 -75.01 96.36 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.98 -27.35 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.627 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -73.33 -35.11 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.704 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.23 -51.54 63.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -66.97 -35.4 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.558 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -57.58 -44.16 85.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -62.52 -39.24 92.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.684 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -74.83 -30.68 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.679 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 31.6 ttp -72.75 -50.02 27.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.474 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.64 -31.68 72.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -53.01 -32.98 49.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.26 -40.46 90.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.57 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -66.35 -34.94 79.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.502 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -68.58 -38.37 80.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.122 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.604 ' CB ' ' HZ1' ' A' ' 30' ' ' LYS . 61.4 m-80 -101.19 94.04 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.242 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -121.23 -3.93 10.32 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' GLY . 42.2 t0 -37.89 -26.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.901 0.381 . . . . 0.0 110.487 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 101.29 -6.05 55.75 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -142.97 132.18 23.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.064 0.459 . . . . 0.0 110.528 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.425 ' CG1' ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.62 -154.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.341 -179.483 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.425 ' H ' ' CG1' ' A' ' 69' ' ' VAL . 23.7 m-20 -152.74 143.91 23.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.912 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -49.05 -53.16 21.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.752 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -55.88 -33.5 64.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.709 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -75.19 -30.94 60.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.961 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -70.74 -42.04 71.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.845 0.355 . . . . 0.0 111.062 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.8 m -74.87 -27.84 20.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.55 -39.86 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 pp -77.26 -34.76 55.69 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.076 -0.649 . . . . 0.0 111.79 -178.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.6 m -63.21 -44.47 99.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.479 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.52 -34.65 72.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.699 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.52 -26.13 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.504 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.7 mt -75.54 -38.1 59.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.685 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 85' ' ' CYS . 52.9 m -62.05 -55.46 28.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.781 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -47.1 -38.69 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.653 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -24.66 68.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.661 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 82' ' ' THR . 7.9 t -81.57 -60.3 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.637 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.539 ' C ' ' H ' ' A' ' 88' ' ' PHE . 5.5 m120 -48.46 -28.75 3.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.662 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -46.77 -12.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.768 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.539 ' H ' ' C ' ' A' ' 86' ' ' ASN . 37.9 t80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.418 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.887 0.375 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.483 ' O ' ' OG1' ' B' ' 6' ' ' THR . 92.9 mt-10 -57.33 -33.89 68.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.675 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.516 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 3.0 tm? -67.98 -48.67 65.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.036 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.84 -37.69 77.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 23.7 p -64.4 -34.87 79.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.69 -41.31 73.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.49 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mmm -69.47 -36.83 76.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.404 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -56.93 -33.87 67.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.586 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 24.1 m -60.71 -42.36 97.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.696 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -59.33 -31.35 69.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.424 HG23 HD13 ' B' ' 12' ' ' ILE . 11.1 mm -71.03 -44.18 75.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -60.04 -55.64 31.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.9 p -60.18 -36.73 69.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.48 ' O ' ' OG ' ' B' ' 19' ' ' SER . 43.7 t80 -60.82 -42.93 98.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.666 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -84.55 -18.64 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.736 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.57 -35.99 73.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.799 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -93.29 -11.75 31.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.958 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 54.3 m -73.86 -1.61 20.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.51 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.62 -0.4 87.94 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -72.43 -79.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.656 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -106.13 -45.29 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.13 171.97 9.51 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -91.21 -60.99 1.76 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.82 0.343 . . . . 0.0 110.503 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.436 ' C ' ' H ' ' B' ' 27' ' ' LYS . 74.8 mttt -141.19 -91.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.88 2.53 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.232 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' B' ' 25' ' ' LYS . 37.5 mtmt -96.48 134.5 39.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.706 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 tp -140.47 120.84 14.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.392 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.54 146.86 40.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.013 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.581 ' HZ1' ' CB ' ' B' ' 64' ' ' ASN . 24.4 tptt -68.65 -29.79 68.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.32 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -56.47 -44.81 80.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.745 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -80.3 -28.49 38.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.653 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.472 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.4 tm? -55.1 -53.39 56.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -51.11 -36.51 40.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.638 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' B' ' 39' ' ' THR . 97.6 mt-10 -79.35 -27.18 41.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.725 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.91 -56.45 10.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.805 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.41 -48.98 62.47 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.335 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.442 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 11.3 pt20 -66.41 -25.66 66.86 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.865 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 67.1 m -74.09 -37.7 64.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.134 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.578 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 1.5 mp0 -93.42 -26.48 17.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.859 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.49 46.06 2.07 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 110.336 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -68.39 -33.27 73.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.631 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.74 -40.01 7.89 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.61 -61.7 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.661 0.267 . . . . 0.0 110.443 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -61.32 -10.55 7.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.725 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -96.6 -16.68 20.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.601 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.66 -2.83 43.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.602 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.7 pp0? -105.13 136.05 45.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.69 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -99.95 -0.48 39.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.52 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 62.9 m-20 -75.06 96.34 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.479 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.95 -27.47 37.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.51 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -73.21 -35.23 66.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.677 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.13 -51.48 63.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -67.05 -35.36 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.619 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -57.65 -44.12 85.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.547 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -62.41 -39.46 93.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.624 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.81 -30.58 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.677 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 31.5 ttp -72.92 -49.95 26.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.46 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.59 -31.66 72.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -52.94 -33.1 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.27 -40.43 90.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.482 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.48 -34.77 78.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.449 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -68.63 -38.46 80.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.042 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.581 ' CB ' ' HZ1' ' B' ' 30' ' ' LYS . 61.5 m-80 -101.12 93.95 5.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.342 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -121.12 -3.9 10.43 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' B' ' 65' ' ' GLY . 42.2 t0 -37.93 -26.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.793 0.33 . . . . 0.0 110.433 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 101.31 -6.65 56.02 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -141.75 132.3 25.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 0.0 110.737 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.42 ' CG1' ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -93.7 -155.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.135 -179.456 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.42 ' H ' ' CG1' ' B' ' 69' ' ' VAL . 23.4 m-20 -152.28 144.07 23.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.826 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -49.05 -53.3 20.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.768 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -55.81 -33.46 64.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.735 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -75.34 -30.7 60.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -70.84 -42.05 70.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.731 0.301 . . . . 0.0 110.997 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.3 m -74.84 -27.98 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.974 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -39.93 34.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -77.15 -34.71 56.46 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.823 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 31.0 m -63.24 -44.47 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.507 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.57 -34.53 72.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.762 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.53 -26.17 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.515 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.41 -38.25 59.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.745 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 53.0 m -62.1 -55.29 30.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -47.14 -38.73 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.688 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.8 -24.81 67.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.682 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 7.8 t -81.57 -60.18 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.687 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.546 ' C ' ' H ' ' B' ' 88' ' ' PHE . 5.5 m120 -48.6 -28.84 3.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.422 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -46.77 -12.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.685 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.546 ' H ' ' C ' ' B' ' 86' ' ' ASN . 37.6 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.554 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.697 0.284 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.53 -33.1 73.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.449 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.443 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 0.2 OUTLIER -63.52 -48.68 76.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.417 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -69.2 -31.53 70.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.37 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.1 m -69.49 -36.14 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.7 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.57 74.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.655 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.8 mmm -67.09 -39.74 86.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.463 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -54.16 -34.51 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.625 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.5 m -59.98 -38.97 84.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.6 mm? -63.97 -31.31 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.639 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.464 HD11 HG23 ' A' ' 12' ' ' ILE . 12.2 mm -71.11 -40.31 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -59.9 -55.19 37.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.787 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.64 -43.47 94.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.455 ' O ' ' OG ' ' A' ' 19' ' ' SER . 66.0 t80 -55.45 -38.75 69.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.527 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -84.62 -17.8 37.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.685 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.09 -37.19 64.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.651 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -90.09 -9.56 47.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.731 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 69.2 m -77.43 6.5 6.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.518 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.91 -6.26 62.09 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -73.34 -74.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.947 0.403 . . . . 0.0 110.524 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -136.53 64.44 1.55 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.407 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ASP . . . -168.76 135.04 3.43 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 23' ' ' GLY . 91.7 m-20 -36.86 -77.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.549 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 26' ' ' TYR . 17.2 pttp -160.58 -41.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.412 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.42 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -100.84 17.96 20.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.04 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -129.64 138.23 51.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.452 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD11 ' H ' ' A' ' 29' ' ' SER . 31.6 tp -134.19 130.54 37.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.243 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.4 ' H ' HD11 ' A' ' 28' ' ' LEU . 32.5 p -69.15 150.79 47.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.33 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.42 ' NZ ' ' CD2' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -64.95 -43.88 91.26 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.264 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -33.77 66.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.56 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -80.35 -49.98 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.59 -34.83 69.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.76 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -52.46 -45.18 65.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.489 ' O ' ' OG1' ' A' ' 39' ' ' THR . 74.5 mm-40 -79.37 -27.25 41.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.444 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.25 -54.76 43.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.914 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.414 ' HG ' ' H ' ' A' ' 38' ' ' GLN . 3.0 pp -50.49 -47.77 57.06 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.093 -0.243 . . . . 0.0 111.387 -178.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.414 ' H ' ' HG ' ' A' ' 37' ' ' LEU . 11.0 pt20 -74.66 -25.85 59.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.783 0.325 . . . . 0.0 111.058 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.489 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 58.5 m -68.06 -38.77 82.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.284 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.439 ' OE1' ' CB ' ' B' ' 4' ' ' LEU . 64.7 mm-40 -92.85 -26.53 17.62 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.321 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.56 46.14 1.79 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.717 0.294 . . . . 0.0 110.489 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 t -68.38 -28.77 67.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.16 -53.29 9.3 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' A' ' 46' ' ' ASP . 23.3 m-85 -45.82 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.712 0.291 . . . . 0.0 110.977 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.06 -9.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.851 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 44' ' ' PHE . 16.1 t70 -104.97 -14.8 15.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.649 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.74 -2.88 19.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.68 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.586 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.2 pp0? -103.77 138.98 39.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.557 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -98.53 -16.05 19.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.586 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 40.4 m-20 -61.16 99.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.498 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.1 t -76.75 -34.88 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.683 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -69.54 -34.68 74.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.762 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.58 -51.6 64.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.749 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.3 p -70.71 -31.97 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.63 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -55.14 -48.11 74.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.552 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.41 -34.82 79.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.2 t -75.62 -30.6 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.587 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 29.7 ttp -71.82 -51.49 22.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.474 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.4 pttt -63.12 -31.51 72.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -55.91 -35.06 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.42 ' CD2' ' NZ ' ' A' ' 30' ' ' LYS . 22.6 mt -64.76 -35.97 82.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -74.82 -27.57 60.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.652 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -72.01 -34.39 68.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.428 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -94.02 51.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.53 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.455 ' C ' ' N ' ' A' ' 67' ' ' GLY . . . -81.79 8.73 58.84 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -47.65 -16.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.811 0.339 . . . . 0.0 110.583 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.455 ' N ' ' C ' ' A' ' 65' ' ' GLY . . . 99.67 -12.04 61.16 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -150.46 132.04 14.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.041 0.448 . . . . 0.0 110.412 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -93.13 -154.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.414 0.626 . . . . 0.0 111.302 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -145.25 133.19 21.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.549 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -48.13 -47.55 34.59 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.565 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -51.47 -37.71 50.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.379 . . . . 0.0 110.082 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -75.69 -30.51 59.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.576 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -63.33 -40.21 96.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.51 -30.15 21.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.8 -39.57 31.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.35 -34.45 48.42 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.933 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.1 m -62.26 -41.83 92.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.408 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.01 -38.29 69.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.704 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.27 -24.21 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.517 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.88 -36.36 59.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.647 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 85' ' ' CYS . 50.2 m -72.33 -55.73 6.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 p -48.33 -25.82 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 110.505 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.21 -30.89 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.505 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 82' ' ' THR . 25.6 t -73.43 -50.05 23.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.643 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 88' ' ' PHE . 1.3 m120 -53.45 -35.92 61.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.489 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -46.01 -14.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.517 ' H ' ' C ' ' A' ' 86' ' ' ASN . 53.8 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.509 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.842 0.353 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.48 -33.14 73.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.439 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 0.3 OUTLIER -63.4 -48.77 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -69.05 -31.71 70.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.361 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 27.0 m -69.46 -36.12 76.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.672 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.47 -42.49 74.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.71 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.8 mmm -67.04 -39.96 87.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.384 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -54.1 -34.45 60.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.623 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.0 m -60.0 -39.13 84.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.747 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.6 mm? -63.79 -31.46 72.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.535 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.403 HG23 HD11 ' B' ' 12' ' ' ILE . 12.4 mm -71.04 -40.3 75.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -59.98 -55.42 34.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.59 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.43 -43.45 94.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.446 ' O ' ' OG ' ' B' ' 19' ' ' SER . 65.8 t80 -55.42 -38.78 69.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.641 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -84.61 -17.95 37.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.548 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.93 -37.18 64.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -90.2 -9.51 47.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.635 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 68.1 m -77.47 6.57 6.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.547 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.01 -6.14 62.02 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -73.43 -74.6 0.17 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.794 0.33 . . . . 0.0 110.613 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -136.68 64.38 1.55 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.41 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' B' ' 24' ' ' ASP . . . -168.66 135.03 3.43 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' B' ' 23' ' ' GLY . 92.0 m-20 -36.93 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.601 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' B' ' 26' ' ' TYR . 17.3 pttp -160.59 -41.17 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.361 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.429 ' N ' ' CG ' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -100.73 17.78 21.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.049 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -129.52 138.27 51.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.467 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.9 tp -134.17 130.53 37.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.213 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.7 p -69.24 150.81 47.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.363 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.419 ' NZ ' ' CD2' ' B' ' 61' ' ' LEU . 0.1 OUTLIER -64.92 -43.8 91.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.286 179.717 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -33.78 66.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.524 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -80.32 -50.01 10.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.5 -34.9 69.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.792 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -52.45 -45.09 65.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' B' ' 39' ' ' THR . 74.4 mm-40 -79.37 -27.38 41.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.371 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 41.9 tp -59.02 -54.86 42.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.416 ' HG ' ' H ' ' B' ' 38' ' ' GLN . 3.0 pp -50.53 -47.71 57.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.418 -178.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.416 ' H ' ' HG ' ' B' ' 37' ' ' LEU . 11.0 pt20 -74.79 -25.61 59.17 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.007 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 57.7 m -68.16 -38.9 82.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.201 -179.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.443 ' OE1' ' CB ' ' A' ' 4' ' ' LEU . 65.1 mm-40 -92.73 -26.58 17.69 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.365 -179.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.68 46.22 1.78 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.703 0.287 . . . . 0.0 110.393 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.5 t -68.4 -29.01 67.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.772 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.93 -53.39 9.52 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.439 ' C ' ' H ' ' B' ' 46' ' ' ASP . 22.9 m-85 -45.94 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.584 0.23 . . . . 0.0 110.909 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.11 -9.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.746 0.308 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' B' ' 44' ' ' PHE . 16.1 t70 -104.9 -14.73 15.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.676 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.78 -3.09 19.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.637 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.583 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.2 pp0? -103.61 139.05 39.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.574 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -98.73 -15.98 19.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.583 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 39.3 m-20 -60.99 99.16 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.723 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 71.3 t -76.67 -34.92 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.699 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -69.44 -34.72 74.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.767 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.7 -51.5 64.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.1 p -70.74 -31.99 47.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.704 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -54.96 -48.27 73.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.525 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -64.33 -34.79 78.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.653 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.2 t -75.6 -30.52 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.647 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 29.6 ttp -71.94 -51.49 21.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.46 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -62.96 -31.61 72.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -55.82 -35.23 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.594 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.419 ' CD2' ' NZ ' ' B' ' 30' ' ' LYS . 22.2 mt -64.59 -35.98 82.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -74.88 -27.52 60.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.645 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -71.98 -34.59 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.426 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -93.9 51.63 1.56 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.523 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.451 ' C ' ' N ' ' B' ' 67' ' ' GLY . . . -81.84 8.63 59.28 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -47.6 -16.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.472 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' B' ' 65' ' ' GLY . . . 99.62 -11.78 61.23 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -150.45 132.36 15.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.472 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -94.81 -154.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.952 -179.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -144.94 133.28 21.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.622 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -48.2 -47.59 35.37 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.484 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -51.4 -37.74 49.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 0.0 110.087 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -75.75 -30.52 59.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.531 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -63.12 -40.36 97.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.939 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.4 m -75.45 -30.2 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.74 -39.62 31.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.25 -34.46 49.07 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.006 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 26.9 m -62.2 -41.92 93.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.43 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.26 69.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.747 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.27 -24.44 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.511 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.2 mt -75.61 -36.47 60.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.8 m -72.22 -55.83 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 p -48.35 -25.76 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.55 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.86 65.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.465 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.5 t -73.44 -50.13 23.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.576 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' B' ' 88' ' ' PHE . 1.3 m120 -53.44 -35.83 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -46.07 -14.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.512 ' N ' ' O ' ' B' ' 86' ' ' ASN . 53.8 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.499 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.748 0.308 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.18 -34.91 74.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 2.8 tm? -58.47 -47.99 82.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.147 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.7 -32.55 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.1 m -66.64 -36.32 82.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.67 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.43 -43.46 75.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.5 mmm -67.96 -38.03 82.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.596 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -54.3 -36.32 63.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -59.64 -43.59 93.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -56.55 -31.1 63.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.384 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.2 mm -70.63 -44.69 76.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.694 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -60.83 -55.69 30.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 p -58.52 -43.03 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.473 ' O ' ' OG ' ' A' ' 19' ' ' SER . 85.5 t80 -60.48 -38.65 84.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 25' ' ' LYS . 4.7 t-80 -71.03 -56.0 7.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.756 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.13 -46.58 11.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.032 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -72.58 -34.81 67.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.732 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 68.1 m -65.04 -16.91 63.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.538 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.26 2.35 7.34 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 19' ' ' SER . 61.9 mmtt -76.82 -106.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.749 0.309 . . . . 0.0 110.515 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -79.85 -35.13 38.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.613 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.14 151.38 51.57 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -61.86 -52.31 64.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.698 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HB2' ' HE2' ' A' ' 16' ' ' HIS . 44.4 pttt -170.27 -45.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.19 26.95 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.199 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -131.8 139.84 49.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.252 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 tp -129.91 114.74 16.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.455 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.431 ' OG ' ' CG ' ' A' ' 32' ' ' GLU . 61.6 p -57.3 158.1 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.361 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.423 ' NZ ' ' CG1' ' A' ' 69' ' ' VAL . 0.3 OUTLIER -68.81 -48.07 64.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.687 179.708 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.09 -46.98 82.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.888 -179.561 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' CG ' ' OG ' ' A' ' 29' ' ' SER . 30.0 mm-40 -63.94 -40.27 96.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.866 0.365 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.514 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 2.7 tm? -60.33 -44.73 95.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.287 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -52.59 -45.06 66.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.733 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.442 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.2 mt-10 -78.64 -27.11 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.311 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -58.52 -56.29 24.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.916 -178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' HG ' ' H ' ' A' ' 38' ' ' GLN . 3.3 pp -50.87 -50.4 57.13 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.463 -178.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.443 ' H ' ' HG ' ' A' ' 37' ' ' LEU . 3.4 pt20 -68.37 -25.54 65.13 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.802 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 74.8 m -73.7 -38.79 64.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.249 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -93.78 -27.18 16.62 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.507 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.69 46.32 1.95 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.843 0.354 . . . . 0.0 110.541 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -68.55 -27.3 65.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.805 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.79 -49.59 10.24 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.438 ' C ' ' H ' ' A' ' 46' ' ' ASP . 14.7 m-85 -50.65 -63.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.953 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.53 -8.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.983 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' A' ' 44' ' ' PHE . 45.8 m-20 -105.44 -11.35 16.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.631 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.34 -2.66 14.74 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.954 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.587 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.5 pp0? -94.98 150.24 20.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.659 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.5 mttp -116.76 -1.5 12.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.537 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.587 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 56.5 m-20 -81.18 105.79 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.9 t -78.91 -24.91 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.593 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -74.6 -33.49 62.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.623 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.73 -51.61 53.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.725 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 p -65.64 -32.49 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.667 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -58.08 -45.8 86.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -66.26 -34.44 78.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.507 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.8 t -76.81 -30.67 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.711 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.0 ttm -70.91 -49.73 42.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.407 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -64.92 -31.74 73.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -53.65 -33.77 56.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.636 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.42 -39.11 92.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.599 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -72.12 -27.47 62.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.792 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -71.07 -36.89 72.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.456 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.574 ' C ' ' H ' ' A' ' 66' ' ' ASP . 2.5 m-80 -93.86 28.43 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.681 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -55.44 -2.62 0.29 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.574 ' H ' ' C ' ' A' ' 64' ' ' ASN . 47.4 t0 -41.34 -18.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.801 0.334 . . . . 0.0 110.579 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.569 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 97.6 -1.2 59.94 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -162.89 132.23 4.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.379 . . . . 0.0 110.604 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.423 ' CG1' ' NZ ' ' A' ' 30' ' ' LYS . 20.9 m -92.43 -171.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.991 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -126.72 154.5 44.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.114 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -52.35 -48.16 65.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.691 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -57.85 -33.43 68.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.661 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' ' CD2' ' A' ' 77' ' ' LEU . 75.2 mm-40 -74.54 -30.95 61.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -70.08 -41.5 74.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.127 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.0 m -75.26 -27.96 20.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.67 -39.54 32.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.401 ' CD2' ' O ' ' A' ' 73' ' ' GLU . 2.7 pp -78.44 -35.1 47.34 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.145 -0.622 . . . . 0.0 112.189 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.0 m -58.51 -41.04 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.393 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.38 -36.77 60.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.694 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.28 -30.36 27.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.529 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.9 mt -74.88 -38.94 61.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.533 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.8 m -64.95 -54.41 31.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.696 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.3 p -53.65 -32.47 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.539 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.57 38.8 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.659 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.5 t -154.08 -54.59 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.549 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -57.34 -30.47 64.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -48.8 -30.44 5.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.7 t80 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.62 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.831 0.348 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.14 -34.87 74.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 2.8 tm? -58.45 -48.02 82.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.134 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.65 -32.62 72.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.1 m -66.71 -36.27 82.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.33 75.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.647 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.8 mmm -68.08 -37.87 81.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.574 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -54.36 -36.36 63.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.9 m -59.6 -43.68 93.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.705 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -56.44 -31.17 63.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.8 mm -70.47 -44.79 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.761 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -60.74 -55.63 30.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.025 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 p -58.7 -42.94 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.753 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.475 ' O ' ' OG ' ' B' ' 19' ' ' SER . 86.2 t80 -60.59 -38.57 85.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.588 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.4 ' HE2' ' HB2' ' B' ' 25' ' ' LYS . 4.7 t-80 -71.04 -56.02 7.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.765 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.11 -46.5 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.017 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -72.75 -34.7 67.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.747 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 68.3 m -65.09 -16.84 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.566 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.21 2.32 7.29 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' B' ' 19' ' ' SER . 61.9 mmtt -76.77 -106.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 110.487 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -79.91 -35.19 38.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.539 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.2 151.41 51.59 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -61.86 -52.41 64.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.593 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.4 ' HB2' ' HE2' ' B' ' 16' ' ' HIS . 44.8 pttt -170.19 -45.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.661 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.19 27.0 8.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.133 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -131.74 139.8 49.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.317 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.4 tp -129.92 114.84 16.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.328 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.433 ' OG ' ' CG ' ' B' ' 32' ' ' GLU . 61.5 p -57.5 158.09 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.366 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.424 ' NZ ' ' CG1' ' B' ' 69' ' ' VAL . 0.2 OUTLIER -68.79 -48.05 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.599 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.426 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.1 -46.98 82.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.885 -179.515 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.433 ' CG ' ' OG ' ' B' ' 29' ' ' SER . 30.0 mm-40 -63.88 -40.38 96.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.928 0.394 . . . . 0.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.515 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.7 tm? -60.22 -44.91 94.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.314 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -52.51 -44.97 66.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.668 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.441 ' O ' ' OG1' ' B' ' 39' ' ' THR . 96.2 mt-10 -78.79 -27.08 44.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.237 -179.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 21.1 tp -58.45 -56.26 24.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.935 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.44 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -50.78 -50.46 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.518 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.44 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 3.4 pt20 -68.47 -25.48 65.0 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.746 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 74.3 m -73.67 -38.9 64.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.198 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -93.78 -27.14 16.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.51 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.72 46.13 2.0 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.517 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -68.32 -27.34 66.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.94 -49.49 9.85 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.441 ' C ' ' H ' ' B' ' 46' ' ' ASP . 14.4 m-85 -50.63 -63.57 1.08 Allowed 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.833 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -55.51 -8.32 0.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.021 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.441 ' H ' ' C ' ' B' ' 44' ' ' PHE . 45.9 m-20 -105.54 -11.32 16.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.636 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.38 -2.67 14.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.965 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.578 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.5 pp0? -94.95 150.37 20.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.732 0.301 . . . . 0.0 110.677 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -116.9 -1.32 12.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.578 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 56.7 m-20 -81.22 105.88 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.551 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.0 t -79.03 -24.94 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.61 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -74.48 -33.44 62.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.82 -51.65 53.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.698 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.2 p -65.63 -32.44 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.692 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -58.16 -45.76 86.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.616 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -66.29 -34.25 77.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.707 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.3 t -76.93 -30.64 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.698 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 27.1 ttm -70.92 -49.79 41.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.364 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -64.87 -31.7 73.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -53.76 -33.75 56.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 50.6 mt -62.5 -38.95 91.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -72.09 -27.58 62.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.789 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -71.03 -36.99 72.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.429 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.563 ' C ' ' H ' ' B' ' 66' ' ' ASP . 2.5 m-80 -93.72 28.34 2.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.693 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -55.47 -2.54 0.29 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.563 ' H ' ' C ' ' B' ' 64' ' ' ASN . 47.2 t0 -41.37 -18.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.629 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.569 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 97.47 -0.87 59.97 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -162.99 132.41 4.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.693 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.424 ' CG1' ' NZ ' ' B' ' 30' ' ' LYS . 19.3 m -93.72 -171.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.785 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -126.45 154.74 43.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.12 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -52.64 -47.94 66.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.729 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -57.91 -33.36 68.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.55 -30.85 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -70.25 -41.4 73.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.839 0.352 . . . . 0.0 111.122 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.7 m -75.25 -28.04 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.66 -39.7 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.19 -35.3 48.78 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.113 -0.635 . . . . 0.0 112.183 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 31.1 m -58.38 -41.12 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.484 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.27 -36.7 61.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.36 -30.31 28.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.493 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.87 -38.85 61.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.548 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.0 m -65.07 -54.52 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.598 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 6.3 p -53.64 -32.34 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.536 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.61 38.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.648 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.5 t -154.01 -54.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -57.28 -30.41 64.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.715 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -48.76 -30.58 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.644 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.5 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.671 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -56.78 -35.86 69.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.556 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -48.59 69.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.388 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.16 -31.53 69.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.38 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 55.8 m -69.49 -34.93 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.795 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.58 76.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.619 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.4 mmm -65.4 -40.63 93.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.496 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -54.08 -34.22 59.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.651 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.1 m -59.68 -40.08 86.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.648 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.5 mm? -66.26 -31.49 72.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.501 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.435 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 23.4 mm -68.18 -43.79 84.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -59.98 -55.75 30.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.015 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.29 -40.97 89.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.808 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.468 ' O ' ' OG ' ' A' ' 19' ' ' SER . 83.4 t80 -58.37 -40.16 81.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.621 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -82.74 -18.34 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.35 -40.47 67.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.72 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -87.45 -12.23 46.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.775 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 67.1 m -72.21 -13.81 61.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.545 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.45 -6.38 88.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -61.13 -48.39 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.528 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -167.73 38.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.454 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -131.95 158.55 22.93 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.35 -62.59 1.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.867 0.365 . . . . 0.0 110.396 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 26' ' ' TYR . 17.9 pttp -175.26 -41.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.25 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.42 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -95.68 -15.77 22.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.0 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -90.8 148.32 22.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.694 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 tp -137.03 110.53 7.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.281 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -52.08 143.78 13.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.285 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HZ2' ' HB2' ' A' ' 64' ' ' ASN . 12.6 tptt -68.87 -29.87 68.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.199 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.49 -45.84 80.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.389 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -80.54 -28.52 37.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.964 0.411 . . . . 0.0 110.614 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.483 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 2.2 tm? -55.28 -56.27 21.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.812 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 15.8 ptmt -52.27 -39.05 59.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.97 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.474 ' O ' ' OG1' ' A' ' 39' ' ' THR . 94.6 mt-10 -79.33 -27.66 42.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.829 0.347 . . . . 0.0 111.014 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.1 tp -64.76 -56.15 15.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.675 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -51.06 -48.89 61.46 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.182 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.424 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 13.3 pt20 -70.08 -25.52 63.56 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.974 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 22.2 m -70.76 -40.99 72.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.397 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -93.67 -26.77 16.9 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.432 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.66 46.27 2.04 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.829 0.347 . . . . 0.0 110.529 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -68.65 -34.39 75.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.803 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.48 -50.66 36.21 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.563 ' C ' ' H ' ' A' ' 46' ' ' ASP . 10.2 m-85 -46.11 -67.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.596 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 pp -52.0 -6.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.846 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.563 ' H ' ' C ' ' A' ' 44' ' ' PHE . 11.5 t0 -105.6 -26.48 11.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.755 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.07 -3.11 48.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.559 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.9 pp0? -105.74 133.76 49.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 110.593 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -99.67 -3.22 33.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.625 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.559 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 36.2 m-20 -64.04 105.42 0.86 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.501 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.8 t -80.54 -38.09 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.805 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 35.3 p-10 -70.53 -36.68 73.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.791 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.568 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -65.05 -51.61 60.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.695 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -67.29 -34.97 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.619 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -57.54 -40.84 79.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.652 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -64.79 -40.6 95.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.621 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.6 t -77.07 -30.5 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.729 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.0 ttt -68.6 -51.46 42.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.413 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -65.99 -31.48 72.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.61 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -56.57 -31.05 63.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.744 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.39 -32.94 71.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.561 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -75.12 -48.03 25.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.379 . . . . 0.0 110.418 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -52.25 -39.53 60.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.57 ' C ' ' H ' ' A' ' 66' ' ' ASP . 2.4 m120 -90.99 22.25 3.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.543 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.48 16.94 0.49 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.57 ' H ' ' C ' ' A' ' 64' ' ' ASN . 22.1 t70 -49.59 -43.23 46.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.497 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.98 -13.98 2.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -174.39 134.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.106 0.479 . . . . 0.0 110.999 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -91.85 -172.7 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.993 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -121.76 162.28 21.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.099 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.435 ' CZ ' ' CD1' ' A' ' 12' ' ' ILE . 31.9 t80 -53.83 -51.77 62.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -53.91 -35.02 61.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -75.75 -30.82 59.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.329 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.409 ' CE1' ' CG1' ' A' ' 78' ' ' VAL . 28.2 t80 -68.34 -37.09 80.19 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.309 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.8 m -75.14 -27.75 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.51 -39.51 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.421 -0.511 . . . . 0.0 112.378 -178.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.33 -35.72 47.26 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.107 -0.637 . . . . 0.0 112.071 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.409 ' CG1' ' CE1' ' A' ' 74' ' ' TYR . 26.8 m -59.24 -42.83 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.556 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.04 -35.1 61.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.711 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.62 -25.99 4.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.592 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 72.9 mt -75.65 -33.49 60.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.804 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.551 ' O ' ' N ' ' A' ' 85' ' ' CYS . 51.6 m -67.0 -51.54 53.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.11 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 82' ' ' THR . 3.7 p -36.82 -30.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.799 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 82' ' ' THR . . . -67.3 -40.72 86.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.697 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.551 ' N ' ' O ' ' A' ' 82' ' ' THR . 3.8 t -64.42 -50.75 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.526 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -61.78 -29.02 69.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.61 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -49.46 -17.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.408 ' N ' ' C ' ' A' ' 86' ' ' ASN . 44.7 t80 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.603 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.703 0.287 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -56.61 -35.91 68.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.675 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.42 -48.54 69.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.374 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.24 -31.43 68.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.432 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 54.4 m -69.43 -35.0 75.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.769 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.53 76.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.4 mmm -65.41 -40.7 93.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.48 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -53.97 -34.37 59.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.639 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 20.0 m -59.65 -39.96 86.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.755 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.5 mm? -66.17 -31.53 72.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.469 HG21 HD11 ' B' ' 12' ' ' ILE . 22.9 mm -68.14 -43.85 84.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.883 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -60.04 -55.56 32.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.037 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.47 -40.85 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.718 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.474 ' O ' ' OG ' ' B' ' 19' ' ' SER . 83.3 t80 -58.51 -40.06 81.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.658 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -82.8 -18.18 41.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.44 -40.38 67.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.727 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -87.43 -12.37 46.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.812 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 66.4 m -72.05 -13.82 61.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.568 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.53 -6.34 88.69 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -61.02 -48.55 81.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 110.615 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -167.67 38.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.01 158.63 22.98 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.51 -62.4 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' B' ' 26' ' ' TYR . 17.8 pttp -175.3 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.373 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.421 ' N ' ' CG ' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -95.68 -15.74 22.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.137 179.77 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -90.71 148.49 22.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.668 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 tp -137.22 110.46 7.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.159 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -51.98 143.72 13.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.277 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.402 ' HZ2' ' HB2' ' B' ' 64' ' ' ASN . 12.7 tptt -68.91 -29.85 68.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.221 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.421 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.41 -45.9 80.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.435 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -80.55 -28.49 37.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.571 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.48 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.2 tm? -55.32 -56.29 21.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.724 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.422 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 15.7 ptmt -52.29 -38.99 59.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.053 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.7 mt-10 -79.49 -27.45 41.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.02 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.1 tp -64.78 -56.06 15.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.736 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.2 pp -51.23 -48.69 62.03 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.237 -179.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.424 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 13.3 pt20 -70.09 -25.68 63.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 111.0 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 22.1 m -70.59 -41.13 72.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.403 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -93.66 -26.7 16.94 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.337 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.76 46.38 2.03 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.815 0.34 . . . . 0.0 110.444 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -68.83 -34.36 75.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.54 -50.79 34.96 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.555 ' C ' ' H ' ' B' ' 46' ' ' ASP . 10.2 m-85 -45.98 -67.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 110.628 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 pp -52.11 -6.26 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.894 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.555 ' H ' ' C ' ' B' ' 44' ' ' PHE . 11.5 t0 -105.75 -26.44 11.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.658 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.24 -2.86 48.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.554 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.9 pp0? -105.57 133.76 49.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.683 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -99.73 -3.23 33.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.574 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.554 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 36.2 m-20 -64.04 105.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.459 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.4 t -80.52 -38.13 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.746 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 35.3 p-10 -70.56 -36.59 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.576 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -65.21 -51.49 60.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.745 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -67.18 -35.07 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.67 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -57.43 -40.9 79.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -64.98 -40.39 94.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.628 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -77.1 -30.49 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.9 ttt -68.68 -51.4 42.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.393 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -65.94 -31.55 72.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -56.6 -31.08 63.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.741 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.23 -33.0 71.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.676 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -75.12 -48.07 25.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.406 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -52.31 -39.56 60.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.49 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.569 ' C ' ' H ' ' B' ' 66' ' ' ASP . 2.4 m120 -91.04 22.51 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.461 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.63 16.94 0.51 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.569 ' H ' ' C ' ' B' ' 64' ' ' ASN . 22.0 t70 -49.53 -43.21 45.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.52 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.97 -14.03 2.37 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -174.32 134.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.983 0.42 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -93.01 -172.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.787 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -121.48 162.3 20.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.197 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.435 ' CZ ' ' CD1' ' B' ' 12' ' ' ILE . 31.5 t80 -53.82 -51.76 62.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.837 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -53.91 -35.06 61.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -75.77 -31.02 59.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.264 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . 0.409 ' CE1' ' CG1' ' B' ' 78' ' ' VAL . 28.2 t80 -68.18 -37.15 80.66 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.278 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 30.7 m -75.05 -27.93 20.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.49 -39.44 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.34 -35.74 47.13 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.224 -0.591 . . . . 0.0 112.094 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.409 ' CG1' ' CE1' ' B' ' 74' ' ' TYR . 26.8 m -59.44 -42.48 87.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.65 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.22 -35.11 61.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.702 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.52 -26.02 4.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.658 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.1 mt -75.71 -33.27 60.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.572 ' O ' ' N ' ' B' ' 85' ' ' CYS . 52.5 m -67.14 -51.54 52.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' B' ' 82' ' ' THR . 3.6 p -36.59 -31.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.772 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 82' ' ' THR . . . -67.24 -40.64 86.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.716 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.572 ' N ' ' O ' ' B' ' 82' ' ' THR . 3.7 t -64.57 -50.65 66.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.545 ' ND2' ' N ' ' B' ' 86' ' ' ASN . 0.8 OUTLIER -61.97 -28.76 69.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.576 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -49.59 -17.85 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.643 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.403 ' N ' ' C ' ' B' ' 86' ' ' ASN . 44.6 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.835 0.35 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -57.22 -38.7 74.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.73 -48.83 79.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.302 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.49 -32.26 72.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.331 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -69.24 -35.09 75.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.596 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.63 -44.15 76.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.363 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.8 mmm -66.72 -36.36 82.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.474 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 17.7 tt0 -57.14 -34.5 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.723 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.2 m -60.3 -41.6 93.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -60.63 -31.21 70.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.557 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.439 HD11 HG22 ' A' ' 12' ' ' ILE . 15.3 mm -68.9 -42.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 11.4 m-80 -59.97 -55.59 32.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.016 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.17 -39.04 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.734 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.485 ' O ' ' OG ' ' A' ' 19' ' ' SER . 85.0 t80 -55.14 -42.7 73.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.656 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -80.17 -39.62 28.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.779 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.71 -41.43 43.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.025 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -87.86 -11.12 48.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.826 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 49.7 m -71.6 -23.71 61.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.653 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.57 -2.64 64.46 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -69.05 -54.43 15.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.819 0.343 . . . . 0.0 110.585 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -129.28 -44.66 1.25 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.436 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.4 172.9 41.01 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -90.05 -55.03 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.714 0.292 . . . . 0.0 110.718 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.453 ' C ' ' H ' ' A' ' 27' ' ' LYS . 44.1 mttm -140.23 -89.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.659 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -76.78 17.21 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 25' ' ' LYS . 20.5 mtpp -109.35 132.63 53.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.607 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 tp -140.76 115.45 9.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.401 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 p -61.46 154.65 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.409 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -68.56 -35.45 77.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.296 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.02 -43.41 81.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.115 -179.323 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -79.03 -28.65 43.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.799 0.333 . . . . 0.0 110.998 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.498 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 3.0 tm? -65.33 -55.52 17.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.722 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.19 -40.63 61.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.741 0.305 . . . . 0.0 110.902 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.481 ' O ' ' OG1' ' A' ' 39' ' ' THR . 28.5 mm-40 -79.31 -27.31 42.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.061 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.3 tp -61.47 -56.24 22.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.909 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -50.8 -49.88 57.49 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.447 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 12.0 pt20 -65.04 -25.68 67.93 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.332 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 25.0 m -74.22 -45.36 48.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.449 -179.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.584 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -87.83 -27.52 22.2 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.524 -178.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mp -116.27 45.03 1.85 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.842 0.353 . . . . 0.0 110.286 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 p -68.22 -27.87 66.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.014 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.25 -48.58 10.74 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.447 ' C ' ' H ' ' A' ' 46' ' ' ASP . 10.0 m-85 -50.26 -65.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.823 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.24 -9.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.804 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.447 ' H ' ' C ' ' A' ' 44' ' ' PHE . 15.2 t70 -102.24 -17.9 15.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.651 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.24 -3.12 29.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.797 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' C ' ' CD ' ' A' ' 48' ' ' GLN . 4.4 pp0? -103.61 136.46 43.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.666 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -98.0 -24.9 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.445 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -51.43 103.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.721 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.99 -35.08 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.594 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -70.24 -36.96 74.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.657 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.45 69.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.676 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.45 -31.91 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -59.51 -46.14 89.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.565 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.84 -37.77 88.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.561 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -75.0 -30.41 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.649 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 ttt -71.05 -50.39 34.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.387 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -65.63 -31.76 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -54.06 -30.65 48.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.502 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.3 mt -63.44 -39.86 95.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.402 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -69.83 -27.53 64.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.645 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.56 -40.34 76.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.579 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.578 ' C ' ' H ' ' A' ' 66' ' ' ASP . 8.8 m120 -92.1 32.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.764 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.588 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -58.15 1.12 0.27 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' A' ' 64' ' ' ASN . 24.2 t70 -39.14 -21.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.342 . . . . 0.0 110.595 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 97.9 3.54 58.06 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -169.11 131.95 1.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.064 0.459 . . . . 0.0 110.865 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.6 m -92.59 -172.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.874 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -129.96 153.77 48.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.708 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -48.5 -50.41 31.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.852 0.358 . . . . 0.0 110.67 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -57.58 -33.72 68.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -75.31 -30.54 60.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -69.74 -41.49 75.19 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.952 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.9 m -75.04 -27.6 20.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.86 -38.43 36.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.12 -44.11 27.04 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.755 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.0 m -58.62 -34.93 52.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.319 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.2 -34.26 61.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.625 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.35 -27.26 65.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.655 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.0 mt -75.44 -31.16 60.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.617 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.4 m -68.39 -55.35 12.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -52.92 -20.95 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.78 25.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 19.5 t -146.57 -54.22 0.25 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.617 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -52.59 -36.23 55.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.753 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -46.72 -24.31 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.669 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.6 t80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.666 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.4 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.817 0.342 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -57.21 -38.74 74.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.77 -48.68 80.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.382 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.54 -32.29 72.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.232 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 29.6 m -69.25 -35.2 75.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.44 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.91 76.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.457 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.2 mmm -66.81 -36.41 82.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 17.6 tt0 -57.11 -34.35 68.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.77 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.1 m -60.45 -41.71 94.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -60.51 -31.24 70.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.668 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -68.81 -42.87 82.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 11.3 m-80 -59.93 -55.58 32.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.005 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.22 -39.17 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.489 ' O ' ' OG ' ' B' ' 19' ' ' SER . 84.8 t80 -55.12 -42.57 73.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -80.44 -39.57 27.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.622 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.55 -41.36 41.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.157 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -87.89 -11.23 48.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.832 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 49.3 m -71.57 -23.87 61.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 0.0 110.489 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.39 -2.66 63.84 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -69.1 -54.38 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.636 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -129.34 -44.53 1.25 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.42 172.99 40.91 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -90.08 -55.09 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 110.735 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.448 ' C ' ' H ' ' B' ' 27' ' ' LYS . 44.1 mttm -140.31 -89.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.628 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -76.64 17.08 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' B' ' 25' ' ' LYS . 20.6 mtpp -109.3 132.62 53.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.589 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 tp -140.74 115.36 9.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.429 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.3 p -61.51 154.71 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.492 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -68.74 -35.23 76.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.342 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.408 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.22 -43.18 82.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.163 -179.375 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -79.19 -28.45 42.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.937 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.498 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 3.0 tm? -65.34 -55.6 17.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.692 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.13 -40.78 61.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.838 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.477 ' O ' ' OG1' ' B' ' 39' ' ' THR . 28.7 mm-40 -79.13 -27.37 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.02 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.2 tp -61.59 -56.27 21.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.797 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.2 pp -50.86 -49.66 58.54 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.438 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 12.0 pt20 -65.24 -25.51 67.71 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.348 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 24.8 m -74.21 -45.32 49.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.482 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.576 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 0.0 OUTLIER -87.88 -27.6 22.1 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.555 -178.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mp -116.16 45.22 1.8 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.728 0.299 . . . . 0.0 110.3 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 26.6 p -68.37 -27.86 66.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.992 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.21 -48.54 10.86 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.444 ' C ' ' H ' ' B' ' 46' ' ' ASP . 10.1 m-85 -50.26 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.581 0.229 . . . . 0.0 110.803 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.27 -9.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.802 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' B' ' 44' ' ' PHE . 15.2 t70 -102.15 -17.87 15.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.4 -3.04 29.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.753 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -103.73 136.48 43.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.637 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -97.93 -24.87 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -51.43 103.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.61 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.04 -35.12 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.617 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -70.19 -37.01 75.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.63 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.77 -51.36 70.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.704 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.41 -31.97 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.656 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.5 -46.15 89.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.8 -37.84 88.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.84 -30.56 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.701 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.7 ttt -70.91 -50.49 34.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.433 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -65.6 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -53.94 -30.73 47.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.452 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.48 -39.85 95.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.354 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -69.77 -27.71 65.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.559 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.48 -40.39 77.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.576 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.557 ' C ' ' H ' ' B' ' 66' ' ' ASP . 8.8 m120 -92.19 32.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.702 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.588 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -58.16 1.16 0.27 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.557 ' H ' ' C ' ' B' ' 64' ' ' ASN . 24.2 t70 -39.29 -21.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.761 0.315 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 97.79 3.81 58.1 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -169.18 131.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.084 0.469 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -93.7 -172.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.633 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -129.54 153.95 47.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.796 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -48.62 -50.27 33.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.778 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -57.62 -33.75 68.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -75.25 -30.56 60.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -69.72 -41.55 75.17 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.995 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.02 -27.6 20.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.87 -38.25 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 120.462 -0.495 . . . . 0.0 112.324 -178.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.32 -43.89 26.69 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.021 -0.672 . . . . 0.0 111.807 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.8 m -58.83 -34.81 53.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.231 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.25 -34.29 61.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.565 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.37 -27.21 65.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.578 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -75.46 -31.26 60.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.522 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.8 m -68.29 -55.41 12.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.982 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -52.89 -20.94 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.784 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.82 25.83 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.479 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 19.5 t -146.59 -54.2 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.701 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -52.55 -36.28 55.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.704 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -46.79 -24.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.578 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 81.7 t80 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.674 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.483 ' O ' ' OG1' ' A' ' 6' ' ' THR . 70.4 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.735 0.302 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -64.12 -40.46 96.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.95 -48.63 80.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.063 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.46 -32.1 73.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.408 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 2' ' ' SER . 23.1 m -69.36 -35.01 75.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.647 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.54 -47.65 75.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 57.5 mmm -66.54 -34.61 78.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 13.2 tt0 -56.23 -36.27 68.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.632 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.0 m -58.56 -43.02 89.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -59.04 -31.36 68.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.48 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.5 mm -71.12 -43.56 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 35.2 m-80 -60.03 -55.65 31.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.4 p -60.94 -38.93 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.694 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.466 ' O ' ' OG ' ' A' ' 19' ' ' SER . 85.1 t80 -57.8 -38.89 76.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.776 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -83.71 -17.96 39.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.12 61.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.794 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.405 ' CD2' ' CD1' ' A' ' 36' ' ' LEU . 63.4 m-70 -86.26 -10.49 54.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 75.1 m -76.38 4.26 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.6 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.55 -9.63 59.94 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -71.73 -65.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.713 0.292 . . . . 0.0 110.47 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -139.02 66.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.475 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -167.2 -178.79 39.75 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -97.78 -70.07 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.897 0.38 . . . . 0.0 110.612 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -144.87 -64.55 0.34 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -95.64 14.97 21.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -109.65 138.26 46.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -138.56 124.73 20.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.907 0.384 . . . . 0.0 110.255 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.6 p -67.6 147.28 52.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.426 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.577 ' HZ2' ' C ' ' A' ' 64' ' ' ASN . 1.2 tppp? -68.81 -38.15 79.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.076 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.644 ' CE ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.93 -40.0 75.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.426 179.869 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -80.55 -28.4 37.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.981 0.419 . . . . 0.0 110.353 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 2.7 tm? -58.93 -55.77 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.757 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.25 -37.18 54.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.868 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.484 ' O ' ' OG1' ' A' ' 39' ' ' THR . 50.1 mt-10 -79.19 -27.36 42.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' CD1' ' CD2' ' A' ' 18' ' ' HIS . 20.9 tp -64.53 -56.32 14.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.707 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -51.67 -48.83 63.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.642 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.442 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 11.1 pt20 -68.46 -25.76 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.298 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 51.5 m -69.51 -40.61 76.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.281 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -93.71 -26.72 16.89 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.099 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.53 44.89 2.26 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.48 -27.36 66.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.69 -51.58 7.07 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.579 ' C ' ' H ' ' A' ' 46' ' ' ASP . 6.8 m-85 -45.99 -64.29 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.627 0.251 . . . . 0.0 110.903 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 pp -52.93 -4.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.105 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' A' ' 44' ' ' PHE . 10.9 t0 -101.28 -23.17 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.693 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.77 -3.11 33.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.21 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.3 pp0? -97.11 128.35 43.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.663 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -99.43 -2.31 36.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.562 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.498 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 90.1 m-20 -71.43 104.31 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.598 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.8 t -76.92 -31.25 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.569 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.87 -37.37 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.646 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.5 -51.56 68.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.701 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.63 -32.32 57.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -56.48 -43.96 80.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -65.54 -36.6 84.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.595 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.9 t -75.79 -30.69 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.1 ttm -72.69 -50.77 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.332 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -63.68 -31.57 72.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.461 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -54.97 -35.95 64.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.598 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.576 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 40.8 mt -61.38 -35.61 77.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.48 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -74.17 -27.53 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.654 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -78.34 -40.96 34.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.367 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.577 ' C ' ' HZ2' ' A' ' 30' ' ' LYS . 68.9 m-80 -96.2 34.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.556 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.18 9.09 4.35 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 64' ' ' ASN . 48.0 t0 -45.02 -23.8 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.482 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.85 -15.3 31.49 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -149.62 131.77 15.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.905 0.383 . . . . 0.0 110.489 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 m -92.88 -171.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.88 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -124.8 151.6 44.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.167 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -52.02 -47.4 65.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.655 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.94 -33.75 69.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.676 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -75.55 -30.9 59.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.257 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -70.07 -39.13 75.8 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.204 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.21 -28.13 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.64 -40.41 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.31 -35.83 47.3 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.106 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 m -58.61 -39.54 76.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.491 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.25 -39.74 62.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.742 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.78 -28.24 3.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.0 mt -75.39 -35.58 61.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.0 m -67.72 -54.67 17.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.79 -17.09 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.644 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.88 26.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.9 t -148.83 -54.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.589 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -53.91 -40.25 66.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -53.49 -21.17 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.684 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.484 ' O ' ' OG1' ' B' ' 6' ' ' THR . 69.8 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.812 0.339 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -64.27 -40.44 95.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -48.68 80.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.228 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.51 -32.09 73.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.414 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' B' ' 2' ' ' SER . 23.3 m -69.37 -34.91 75.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.634 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.61 -47.62 76.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 57.6 mmm -66.61 -34.62 78.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.385 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 13.1 tt0 -56.19 -36.27 68.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.64 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.0 m -58.56 -42.92 89.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.701 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -59.14 -31.28 68.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.446 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.7 mm -71.31 -43.59 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.735 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 34.7 m-80 -59.84 -55.59 32.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.14 -38.74 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.744 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.459 ' O ' ' OG ' ' B' ' 19' ' ' SER . 84.9 t80 -57.83 -39.05 76.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.716 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -83.67 -17.89 39.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.707 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.06 61.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.411 ' CD2' ' CD1' ' B' ' 36' ' ' LEU . 63.0 m-70 -86.41 -10.4 54.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.835 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.459 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 75.4 m -76.37 4.23 9.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.654 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.62 -9.64 59.85 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -71.63 -65.13 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.715 0.293 . . . . 0.0 110.603 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -139.13 66.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -167.2 -178.93 39.85 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -97.78 -70.01 0.74 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.794 0.331 . . . . 0.0 110.598 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -144.84 -64.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.574 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -95.72 15.09 21.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -109.82 138.17 46.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.391 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -138.49 124.72 20.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.958 0.408 . . . . 0.0 110.279 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -67.65 147.45 52.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.439 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.578 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 1.2 tppp? -68.96 -38.09 79.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.046 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.639 ' H ' ' CE ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.86 -40.06 75.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 179.82 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.55 -28.37 37.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.335 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.491 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.7 tm? -59.01 -55.75 31.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.696 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.33 -37.2 55.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.847 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.487 ' O ' ' OG1' ' B' ' 39' ' ' THR . 50.0 mt-10 -79.04 -27.47 43.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.411 ' CD1' ' CD2' ' B' ' 18' ' ' HIS . 21.1 tp -64.46 -56.28 15.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.862 -179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.2 pp -51.67 -49.0 63.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.527 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.442 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 11.1 pt20 -68.32 -25.78 65.29 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.232 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 51.7 m -69.53 -40.64 76.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.293 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -93.62 -26.74 16.95 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.15 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.53 44.88 2.26 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 110.477 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -27.3 65.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.8 -51.4 7.12 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.564 ' C ' ' H ' ' B' ' 46' ' ' ASP . 6.7 m-85 -46.1 -64.19 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.924 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 pp -53.08 -4.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.995 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.564 ' H ' ' C ' ' B' ' 44' ' ' PHE . 10.9 t0 -101.39 -23.14 14.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.636 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.8 -3.03 33.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.145 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.3 pp0? -97.08 128.29 43.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 110.686 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -99.39 -2.26 36.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.5 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 90.1 m-20 -71.58 104.41 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.6 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.89 -31.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.62 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -71.82 -37.29 70.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.62 -51.44 69.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.668 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.75 -32.28 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.42 -44.13 80.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -65.49 -36.58 84.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.586 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.8 t -75.82 -30.63 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.2 ttm -72.65 -50.76 22.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -63.75 -31.6 72.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.458 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -54.85 -36.03 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.595 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.578 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 40.9 mt -61.39 -35.56 77.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -74.24 -27.46 60.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.625 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -78.32 -40.97 35.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.34 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.568 ' C ' ' HZ2' ' B' ' 30' ' ' LYS . 68.8 m-80 -96.2 34.53 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.17 8.97 4.43 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' B' ' 64' ' ' ASN . 48.3 t0 -45.19 -23.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.328 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.75 -14.95 31.95 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -149.85 131.61 15.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.925 0.393 . . . . 0.0 110.55 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 14.2 m -93.93 -171.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.628 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -124.25 151.63 43.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.229 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.07 -47.43 65.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.603 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.93 -33.72 69.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.72 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -75.62 -30.8 59.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.262 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -70.1 -39.17 75.68 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.265 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.24 -28.09 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.69 -40.35 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.34 -35.79 47.11 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.259 -0.576 . . . . 0.0 112.094 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 29.3 m -58.68 -39.43 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.413 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.35 -39.8 62.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.666 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.58 -28.4 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.9 mt -75.26 -35.55 61.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.1 m -67.77 -54.71 17.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.777 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.9 -17.01 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.574 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.8 26.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.623 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 6.8 t -148.78 -54.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -53.9 -40.22 66.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.584 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -53.62 -21.16 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -72.32 160.71 31.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.722 0.296 . . . . 0.0 110.603 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.79 -36.63 79.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.528 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -48.6 81.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.319 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -71.5 -31.76 67.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.571 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.6 m -69.39 -35.04 75.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.41 -44.66 76.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.492 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.2 mmm -68.47 -35.85 78.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.26 -34.88 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.665 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.1 m -61.63 -36.8 81.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.5 mm? -65.55 -31.4 72.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.415 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.8 mm -70.16 -44.78 77.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.924 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -59.95 -55.78 29.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -58.93 -43.67 89.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.74 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.486 ' O ' ' OG ' ' A' ' 19' ' ' SER . 84.4 t80 -59.38 -36.91 76.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.676 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 19' ' ' SER . 3.0 t-80 -70.98 -59.51 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.762 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.48 -34.46 0.84 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.872 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -87.54 -21.16 25.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 16' ' ' HIS . 51.6 m -72.53 -8.38 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.567 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.38 -2.13 89.16 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -65.32 -110.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.435 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -79.83 -29.89 40.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.478 ' O ' ' OD1' ' A' ' 24' ' ' ASP . . . -68.69 -144.32 0.13 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' A' ' 23' ' ' GLY . 97.0 m-20 -140.02 -61.85 0.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.751 0.31 . . . . 0.0 110.575 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -139.84 -64.65 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.46 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -97.54 1.88 49.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.405 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -99.82 139.59 35.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.678 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.575 ' N ' ' OE2' ' A' ' 68' ' ' GLU . 37.1 tp -150.29 126.47 10.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.391 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.1 p -70.97 147.0 49.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -37.47 86.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.386 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -56.91 -39.91 75.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.637 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -80.28 -40.9 25.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.29 -34.5 78.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.709 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -52.14 -44.51 64.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.565 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.489 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.7 mt-10 -79.62 -27.56 41.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.169 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.1 tp -58.55 -56.35 23.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.759 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.414 ' HG ' ' H ' ' A' ' 38' ' ' GLN . 3.0 pp -50.82 -47.43 60.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.572 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.414 ' H ' ' HG ' ' A' ' 37' ' ' LEU . 14.6 pt20 -76.39 -25.44 54.55 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.314 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.489 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 33.6 m -66.82 -39.47 87.71 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.337 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.585 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 2.8 mp0 -91.05 -26.89 18.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.013 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.54 43.7 2.01 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.825 0.345 . . . . 0.0 110.192 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p -68.26 -27.36 66.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.79 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.97 -49.38 16.95 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.542 ' C ' ' H ' ' A' ' 46' ' ' ASP . 11.6 m-85 -49.36 -61.62 1.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.698 0.285 . . . . 0.0 110.734 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 pp -55.06 -4.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.683 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.542 ' H ' ' C ' ' A' ' 44' ' ' PHE . 14.0 t0 -104.29 -20.21 13.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.556 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.04 -2.94 26.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.88 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.582 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 2.1 pp0? -96.65 129.5 44.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.852 0.358 . . . . 0.0 110.637 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -94.13 -15.38 24.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.477 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.582 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 65.3 m-20 -64.92 101.86 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.643 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.4 t -75.44 -31.7 24.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -71.95 -36.07 69.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.658 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.22 -51.35 69.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.653 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.22 -34.01 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.59 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.7 -42.52 93.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -62.64 -41.98 99.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.64 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -72.4 -30.47 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.761 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.9 ttt -70.86 -51.43 26.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.334 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -66.59 -31.65 72.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.619 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -52.87 -30.79 35.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.466 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.07 -39.94 95.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -69.76 -27.39 64.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -68.01 -40.99 82.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.532 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.576 ' C ' ' H ' ' A' ' 66' ' ' ASP . 70.3 m-80 -103.69 30.99 4.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.538 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -59.93 2.84 0.35 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.576 ' H ' ' C ' ' A' ' 64' ' ' ASN . 21.9 t70 -37.78 -24.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 110.41 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 108.01 -3.5 33.63 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.575 ' OE2' ' N ' ' A' ' 28' ' ' LEU . 6.9 tp10 -153.2 132.03 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.413 . . . . 0.0 110.814 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.418 ' CG1' ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.69 -153.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.81 179.582 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.418 ' H ' ' CG1' ' A' ' 69' ' ' VAL . 59.3 t0 -148.71 140.56 23.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.028 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -48.49 -49.23 36.65 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.452 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -52.6 -36.12 55.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.232 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -75.74 -30.68 59.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.704 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -64.21 -40.04 95.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.843 0.354 . . . . 0.0 110.759 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.9 -30.64 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.237 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.47 -38.36 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.59 -35.57 45.58 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.114 -0.635 . . . . 0.0 111.847 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.7 m -60.38 -40.21 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.261 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.72 -41.5 60.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.622 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.02 -29.02 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.686 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.6 mt -75.19 -39.21 60.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.726 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 80.4 m -64.68 -54.65 28.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.747 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.474 ' C ' ' H ' ' A' ' 85' ' ' CYS . 11.1 p -57.37 -25.79 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.546 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.87 20.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.557 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.474 ' H ' ' C ' ' A' ' 83' ' ' VAL . 40.8 t -141.99 -42.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -53.07 -31.62 42.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.663 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -46.72 -28.68 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.586 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.72 -38.25 60.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.607 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -63.75 -56.68 13.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.472 ' CZ2' ' CE1' ' B' ' 16' ' ' HIS . 38.8 m95 -87.33 115.69 24.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.644 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -165.79 157.69 14.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.646 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -74.6 144.46 43.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.56 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.585 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -72.34 160.72 31.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 110.564 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.83 -36.67 79.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.91 -48.6 81.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.39 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -71.51 -31.73 67.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.529 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 32.6 m -69.39 -35.15 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.726 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.19 -44.67 75.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.606 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 66.2 mmm -68.57 -35.94 78.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.483 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.22 -34.94 64.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.625 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.5 m -61.55 -36.85 81.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.5 mm? -65.48 -31.46 72.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.431 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 14.7 mm -70.21 -44.68 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.929 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -60.2 -55.55 32.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.03 -43.57 89.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.764 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.477 ' O ' ' OG ' ' B' ' 19' ' ' SER . 84.6 t80 -59.16 -37.15 76.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.772 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.532 ' O ' ' N ' ' B' ' 19' ' ' SER . 3.0 t-80 -71.02 -59.58 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.633 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.33 -34.55 0.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.925 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -87.49 -21.17 25.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.779 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.532 ' N ' ' O ' ' B' ' 16' ' ' HIS . 51.9 m -72.61 -8.39 55.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.487 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.23 -2.18 89.32 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -65.27 -110.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.557 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -79.76 -30.0 40.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.415 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.477 ' O ' ' OD1' ' B' ' 24' ' ' ASP . . . -68.73 -144.2 0.13 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.477 ' OD1' ' O ' ' B' ' 23' ' ' GLY . 97.0 m-20 -140.01 -61.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.359 . . . . 0.0 110.485 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -139.8 -64.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -97.6 2.01 49.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.371 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -99.88 139.62 35.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.65 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.585 ' N ' ' OE2' ' B' ' 68' ' ' GLU . 36.4 tp -150.32 126.4 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.422 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.8 p -71.0 146.79 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.972 0.415 . . . . 0.0 111.02 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -37.37 86.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.458 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -57.07 -39.8 75.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.649 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -80.28 -40.9 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.31 -34.54 78.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.65 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -52.05 -44.59 64.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.526 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' B' ' 39' ' ' THR . 96.7 mt-10 -79.64 -27.38 40.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.257 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 45.4 tp -58.71 -56.36 23.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.744 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.423 ' HG ' ' H ' ' B' ' 38' ' ' GLN . 3.0 pp -50.68 -47.6 58.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.594 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.423 ' H ' ' HG ' ' B' ' 37' ' ' LEU . 14.6 pt20 -76.29 -25.44 54.86 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.383 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 33.1 m -66.7 -39.71 88.18 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.336 -179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.588 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 2.7 mp0 -90.99 -26.79 19.05 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.008 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.62 43.67 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.209 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.1 p -68.28 -27.45 66.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.76 -49.52 17.58 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.561 ' C ' ' H ' ' B' ' 46' ' ' ASP . 11.5 m-85 -49.35 -61.58 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.675 0.274 . . . . 0.0 110.723 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 pp -55.15 -4.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.678 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.561 ' H ' ' C ' ' B' ' 44' ' ' PHE . 14.0 t0 -104.25 -20.3 13.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.638 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.86 -3.11 26.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.581 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 2.1 pp0? -96.57 129.34 43.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.637 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -94.06 -15.41 24.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.581 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 65.6 m-20 -65.01 102.04 0.57 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.452 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 96.4 t -75.36 -31.9 24.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.5 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -71.87 -35.93 69.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.669 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.39 -51.4 69.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.619 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.15 -34.12 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.571 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.57 -42.63 92.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.551 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -62.52 -42.0 99.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.654 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 62.0 t -72.5 -30.47 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.592 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.9 ttt -70.87 -51.33 27.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.43 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -66.57 -31.7 72.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.563 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -52.78 -30.87 35.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.387 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.17 -39.82 94.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.612 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -69.81 -27.45 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.639 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -67.96 -40.98 83.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.561 ' C ' ' H ' ' B' ' 66' ' ' ASP . 70.3 m-80 -103.72 31.03 4.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.53 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.574 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -60.05 2.99 0.35 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.561 ' H ' ' C ' ' B' ' 64' ' ' ASN . 21.7 t70 -37.79 -24.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.467 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 107.89 -3.16 33.79 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.585 ' OE2' ' N ' ' B' ' 28' ' ' LEU . 7.0 tp10 -153.29 132.06 12.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.378 . . . . 0.0 110.69 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.408 ' CG1' ' H ' ' B' ' 70' ' ' ASP . 0.7 OUTLIER -93.81 -153.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.558 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.408 ' H ' ' CG1' ' B' ' 69' ' ' VAL . 59.5 t0 -149.25 140.64 23.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.877 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -48.54 -49.24 37.09 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.413 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -52.51 -36.23 54.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.257 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -75.6 -30.79 59.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.689 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -64.19 -40.08 95.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.798 0.332 . . . . 0.0 110.781 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.84 -30.58 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.64 -38.3 30.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.54 -35.6 45.91 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.921 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 29.3 m -60.32 -40.23 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.348 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.75 -41.31 60.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.734 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.16 -28.94 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.62 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 77.4 mt -75.2 -39.24 60.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.72 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 81.4 m -64.69 -54.74 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.643 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.468 ' C ' ' H ' ' B' ' 85' ' ' CYS . 11.2 p -57.33 -25.78 24.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.84 20.74 0.23 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.468 ' H ' ' C ' ' B' ' 83' ' ' VAL . 41.1 t -141.89 -42.86 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -52.97 -31.65 41.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.635 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -46.62 -28.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.497 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.79 -38.3 60.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.485 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -63.77 -56.64 14.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.579 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.476 ' CZ2' ' CE1' ' A' ' 16' ' ' HIS . 38.9 m95 -87.29 115.61 24.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -165.8 157.83 14.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.68 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -74.76 144.56 43.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.49 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.599 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -82.87 158.87 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.496 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -52.19 -31.07 30.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.472 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 0.3 OUTLIER -71.36 -48.54 49.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.407 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.98 -35.25 80.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.59 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.8 p -69.36 -34.78 75.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.698 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.04 -37.04 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.69 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.0 mmm -75.58 -38.47 59.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.457 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -54.64 -35.34 63.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.671 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.1 m -58.89 -41.04 86.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.752 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -63.31 -31.3 72.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.483 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.454 HG23 HD12 ' A' ' 12' ' ' ILE . 15.2 mm -70.89 -38.67 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -59.78 -55.06 38.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.779 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.65 -37.25 75.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.52 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.479 ' O ' ' OG ' ' A' ' 19' ' ' SER . 61.6 t80 -60.73 -46.08 91.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.56 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -77.35 -18.07 57.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.678 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.74 -35.76 65.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.697 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -92.55 -13.33 29.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 48.6 m -74.77 3.65 7.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.56 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.63 3.74 71.79 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -82.31 -75.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.61 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -112.63 -42.9 3.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.623 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.63 165.53 3.87 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -86.06 -59.37 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.627 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -145.17 -69.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.446 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.27 -3.58 57.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.127 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -92.13 146.59 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.623 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.7 tp -144.04 122.11 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.454 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -62.96 147.87 49.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.574 ' HZ1' ' CA ' ' A' ' 61' ' ' LEU . 26.4 tptp -68.2 -40.57 82.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.415 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.85 -37.14 70.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.849 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -81.51 -31.68 32.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.545 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 tt -72.13 -39.14 69.02 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.819 0.304 . . . . 0.0 111.819 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 10.4 ptmm? -51.34 -40.54 59.31 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.841 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.494 ' O ' ' OG1' ' A' ' 39' ' ' THR . 91.2 mt-10 -79.66 -31.97 41.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.0 tp -55.58 -56.2 23.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.924 -178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.422 ' HG ' ' H ' ' A' ' 38' ' ' GLN . 3.0 pp -50.47 -48.21 56.76 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.016 -0.273 . . . . 0.0 111.545 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.422 ' H ' ' HG ' ' A' ' 37' ' ' LEU . 20.5 pt20 -75.22 -25.68 58.35 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.066 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 57.3 m -65.76 -38.48 89.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.062 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.47 ' OE1' ' CB ' ' B' ' 4' ' ' LEU . 63.6 mm-40 -92.17 -26.71 18.1 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.069 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.3 mp -114.69 45.01 1.64 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 0.0 110.426 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -68.41 -27.42 66.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.32 -52.46 5.6 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.563 ' C ' ' H ' ' A' ' 46' ' ' ASP . 12.9 m-85 -46.93 -63.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.656 0.265 . . . . 0.0 110.864 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 pp -53.79 -4.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.718 0.294 . . . . 0.0 110.9 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.563 ' H ' ' C ' ' A' ' 44' ' ' PHE . 5.4 t70 -105.61 -20.84 13.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.791 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.94 -2.96 33.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.956 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.0 pp0? -93.16 139.19 30.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 110.773 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -103.48 -12.15 17.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.491 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.507 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 83.9 m-20 -71.31 98.16 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.96 -27.68 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.568 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -73.5 -37.29 65.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.707 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.81 -51.41 68.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.681 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.3 p -66.0 -32.27 57.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.48 -47.68 81.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -62.13 -37.21 84.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.63 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -76.37 -30.6 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.83 -51.6 21.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -63.2 -31.82 73.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.486 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.417 ' OE2' ' ND2' ' A' ' 64' ' ' ASN . 44.5 tp10 -53.15 -33.69 53.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.616 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.574 ' CA ' ' HZ1' ' A' ' 30' ' ' LYS . 59.5 mt -62.16 -36.24 81.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.654 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -74.71 -27.86 60.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -78.15 -41.23 35.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.767 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.552 ' C ' ' H ' ' A' ' 66' ' ' ASP . 32.1 m-80 -88.97 24.26 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.62 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.13 24.25 0.71 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.552 ' H ' ' C ' ' A' ' 64' ' ' ASN . 52.8 m-20 -58.94 -44.81 91.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.804 0.335 . . . . 0.0 110.628 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.0 -27.12 2.31 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -146.75 132.35 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 110.427 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.43 -154.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -143.29 138.87 29.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.044 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.42 ' CZ ' ' CD1' ' A' ' 12' ' ' ILE . 33.3 t80 -48.73 -48.03 40.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 110.646 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -51.77 -35.69 44.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.477 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.87 -30.88 59.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.691 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -64.37 -39.27 93.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.971 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -75.74 -30.99 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.64 -39.12 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.31 -35.09 48.23 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.983 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.7 m -60.96 -42.88 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.44 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.98 -39.31 66.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.8 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.36 -27.9 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.366 . . . . 0.0 110.68 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -75.31 -37.43 60.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.8 m -64.91 -54.76 25.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.78 -38.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.707 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.16 -13.49 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.693 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.9 t -97.05 -50.97 4.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.731 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.501 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 0.7 OUTLIER -47.03 -39.35 12.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.64 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 90' ' ' TRP . 56.7 t30 -47.22 -24.31 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.599 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -50.1 -35.86 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -63.32 -55.19 26.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.612 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.457 ' O ' ' CD2' ' A' ' 90' ' ' TRP . 43.4 p-90 -106.64 104.18 13.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.609 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -87.34 -45.1 10.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -103.1 145.48 29.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.592 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -82.88 158.94 22.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.789 0.328 . . . . 0.0 110.652 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -52.33 -30.83 30.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.672 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.47 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 0.3 OUTLIER -71.45 -48.37 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.498 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.28 -35.2 80.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 40.6 p -69.37 -34.67 74.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -37.05 66.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.671 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.8 mmm -75.52 -38.51 59.34 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.532 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -54.58 -35.34 63.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.678 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.3 m -58.89 -40.98 86.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.7 mm? -63.29 -31.38 72.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.474 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.429 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 15.1 mm -70.81 -38.68 73.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -59.88 -55.08 38.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.746 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.57 -37.2 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.676 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.476 ' O ' ' OG ' ' B' ' 19' ' ' SER . 61.7 t80 -60.77 -46.06 91.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.487 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -77.46 -17.96 57.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.621 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.82 -35.79 64.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.573 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -92.64 -13.17 29.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.637 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 48.2 m -74.83 3.7 7.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.621 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.6 3.73 71.89 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -82.3 -75.26 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.842 0.354 . . . . 0.0 110.683 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -112.71 -42.83 3.54 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.645 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 165.6 3.9 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -86.07 -59.37 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.738 0.304 . . . . 0.0 110.625 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -145.22 -69.62 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.447 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.23 -3.54 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.099 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -92.2 146.53 23.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.517 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 tp -144.02 122.16 12.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -62.89 147.94 48.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.579 ' HZ1' ' CA ' ' B' ' 61' ' ' LEU . 26.3 tptp -68.19 -40.55 82.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.458 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.414 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.82 -37.31 71.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.614 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -81.39 -31.59 33.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.655 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 tt -72.24 -38.96 68.8 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.443 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 10.3 ptmm? -51.42 -40.48 59.43 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.791 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.484 ' O ' ' OG1' ' B' ' 39' ' ' THR . 91.0 mt-10 -79.83 -31.84 40.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.051 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 31.9 tp -55.45 -56.3 21.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.888 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.429 ' HG ' ' H ' ' B' ' 38' ' ' GLN . 3.0 pp -50.55 -48.26 57.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.449 -178.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.429 ' H ' ' HG ' ' B' ' 37' ' ' LEU . 20.5 pt20 -75.12 -25.71 58.66 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.14 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 56.1 m -65.65 -38.54 89.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.09 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.472 ' OE1' ' CB ' ' A' ' 4' ' ' LEU . 63.5 mm-40 -92.13 -26.84 18.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.092 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 8.3 mp -114.65 45.11 1.62 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.393 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -68.33 -27.54 66.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.34 -52.27 5.69 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.557 ' C ' ' H ' ' B' ' 46' ' ' ASP . 13.1 m-85 -47.0 -63.88 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.733 0.302 . . . . 0.0 110.91 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 pp -53.95 -4.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.843 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.557 ' H ' ' C ' ' B' ' 44' ' ' PHE . 5.4 t70 -105.63 -20.94 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.684 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.97 -2.84 33.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.039 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.492 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 2.9 pp0? -93.34 139.33 30.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 110.78 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -103.56 -12.26 17.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.483 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.492 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 83.4 m-20 -71.11 98.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.675 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.7 t -71.13 -27.44 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.539 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -73.69 -37.4 65.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.628 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.5 -51.7 67.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.663 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.85 -32.25 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.59 -47.52 81.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.57 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -62.31 -37.25 84.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.505 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 75.6 t -76.19 -30.68 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.64 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.6 ttt -71.86 -51.42 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.461 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -63.3 -31.66 72.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.6 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.42 ' OE2' ' ND2' ' B' ' 64' ' ' ASN . 44.6 tp10 -53.31 -33.69 54.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.579 ' CA ' ' HZ1' ' B' ' 30' ' ' LYS . 59.2 mt -62.07 -36.39 81.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.542 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -74.74 -27.7 60.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.81 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -78.34 -41.02 34.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.746 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.558 ' C ' ' H ' ' B' ' 66' ' ' ASP . 32.1 m-80 -89.03 24.27 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.576 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.12 24.2 0.71 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.558 ' H ' ' C ' ' B' ' 64' ' ' ASN . 53.0 m-20 -58.88 -44.75 91.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.677 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 141.76 -26.71 2.37 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -146.85 132.26 18.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.302 . . . . 0.0 110.469 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -93.47 -154.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.018 0.437 . . . . 0.0 110.829 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -143.07 138.89 30.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.121 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.429 ' CZ ' ' CD1' ' B' ' 12' ' ' ILE . 33.4 t80 -48.61 -48.15 39.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.614 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -51.71 -35.83 44.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.402 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -75.76 -30.95 59.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.703 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -64.31 -39.3 93.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.948 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.3 m -75.77 -30.95 21.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.66 -39.17 31.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.44 -35.02 47.4 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.106 -0.637 . . . . 0.0 111.919 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.4 m -60.94 -42.89 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.499 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.06 -39.29 66.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.37 -27.78 2.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.683 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -75.43 -37.36 60.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.698 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 86.0 m -64.94 -54.75 25.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.776 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.78 -38.59 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.733 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.97 -13.5 46.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.808 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.9 t -97.05 -50.97 4.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.763 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.509 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 0.7 OUTLIER -47.19 -39.2 13.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.682 -179.776 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 90' ' ' TRP . 56.7 t30 -47.2 -24.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.503 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -50.11 -35.84 27.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.354 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -63.41 -55.2 26.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.542 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.462 ' O ' ' CD2' ' B' ' 90' ' ' TRP . 43.7 p-90 -106.66 104.3 13.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.612 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -87.33 -45.18 10.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.423 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -103.19 145.35 30.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.558 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.501 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t -71.7 144.43 49.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.358 . . . . 0.0 110.512 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.02 -41.51 98.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.616 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 2.9 tm? -60.09 -48.56 81.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.223 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.77 -36.3 80.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.8 m -64.86 -34.98 79.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.479 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.45 -46.72 76.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.652 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.9 mmm -64.02 -41.13 97.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.517 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 22.8 tt0 -53.81 -35.16 61.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.418 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m -59.24 -47.03 86.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.601 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.5 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 4.0 mm? -53.0 -31.31 40.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.416 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -71.01 -43.57 76.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.7 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 5.1 m-80 -59.99 -55.67 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.906 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.4 p -59.33 -40.78 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.617 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.478 ' O ' ' OG ' ' A' ' 19' ' ' SER . 79.0 t80 -63.26 -42.48 99.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.664 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -76.56 -20.76 56.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.772 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.77 -43.34 55.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.783 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -85.59 -9.15 57.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.825 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 41.0 m -72.42 -20.98 61.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.702 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.9 -14.73 61.43 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -58.58 -108.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.759 0.314 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -78.15 -36.87 47.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.671 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.95 174.19 46.89 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.562 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 20.4 p-10 -86.19 -68.03 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.747 0.308 . . . . 0.0 110.624 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.562 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 51.2 mttm -148.17 -50.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.02 -17.27 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.177 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -90.04 143.03 27.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.63 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -140.78 122.98 15.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.411 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.0 p -75.16 144.7 42.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' HZ2' ' CB ' ' A' ' 64' ' ' ASN . 36.2 tptt -67.99 -29.53 68.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.419 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -56.55 -44.42 80.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.913 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -80.42 -28.69 37.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.944 0.402 . . . . 0.0 110.614 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.457 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 2.5 tm? -53.42 -51.14 63.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.01 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 11.2 ptmm? -51.25 -38.06 50.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.792 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.473 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.3 mt-10 -78.79 -27.33 44.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.91 -56.25 12.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.752 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.95 -49.48 63.1 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.394 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.438 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 15.2 pt20 -67.41 -25.82 66.13 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.722 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 30.0 m -75.74 -35.83 60.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.198 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -93.91 -26.85 16.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.355 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 mp -118.44 45.97 1.91 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.854 0.359 . . . . 0.0 110.522 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -68.12 -27.54 66.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.37 -53.44 5.57 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -45.16 -66.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.628 0.251 . . . . 0.0 110.814 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 pp -52.33 -16.71 0.91 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.127 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -80.36 -48.16 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 110.608 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.98 39.24 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.494 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.481 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -102.26 134.59 45.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.653 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -108.95 -6.2 15.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -91.8 104.43 16.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.57 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -80.4 -28.77 11.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.634 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -74.52 -37.48 63.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.735 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.84 -51.19 67.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.691 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 p -64.54 -36.84 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.691 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -56.95 -47.14 81.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.604 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.56 -37.66 88.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.532 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.68 -30.45 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ttm -70.21 -51.53 30.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.09 -31.68 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.442 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -54.41 -34.43 61.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.99 -36.9 75.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -74.67 -27.88 60.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -69.14 -41.35 77.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.563 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.442 ' C ' ' H ' ' A' ' 66' ' ' ASP . 41.7 m-80 -100.58 33.04 2.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.517 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.51 18.52 4.51 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 64' ' ' ASN . 70.7 m-20 -51.6 -44.79 62.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 110.436 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.94 -16.54 3.25 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -142.94 132.89 24.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.983 0.421 . . . . 0.0 110.384 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.45 ' O ' ' OD1' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -92.43 -154.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.197 -179.431 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 69' ' ' VAL . 62.6 m-20 -153.09 142.92 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.034 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -48.51 -52.95 19.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.743 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -56.08 -33.34 64.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.695 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.72 -30.8 59.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.184 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -72.1 -40.78 67.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.935 0.398 . . . . 0.0 111.125 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.0 m -74.88 -27.8 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.9 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.26 -39.51 35.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.32 -34.68 48.46 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.995 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -62.44 -43.94 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.417 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.03 -35.85 72.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.811 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.04 -31.65 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.58 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.66 -30.9 59.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.546 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.0 m -69.84 -55.74 8.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.9 p -58.44 -31.05 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.746 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.14 -22.54 66.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.594 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -94.36 -39.31 10.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -54.85 -41.39 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.718 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 90' ' ' TRP . 7.2 t-20 -47.68 -24.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.631 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -59.37 -45.78 90.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -58.4 -50.21 74.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.619 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.479 ' O ' ' O ' ' A' ' 87' ' ' ASN . 53.4 m95 -95.49 -177.12 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.538 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 51.83 54.54 10.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.561 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -75.71 128.75 35.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.51 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.535 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -71.63 144.42 49.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.565 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.11 -41.43 98.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.515 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 2.9 tm? -60.09 -48.69 80.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.167 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.68 -36.43 80.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.501 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 25.4 m -64.74 -35.0 79.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.509 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.5 -46.74 76.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.6 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 51.5 mmm -64.02 -41.09 97.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.462 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.519 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 23.0 tt0 -53.76 -35.16 60.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.507 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.0 m -59.29 -46.89 87.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.683 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 4.0 mm? -53.05 -31.31 40.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.466 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.427 HD13 HG23 ' B' ' 12' ' ' ILE . 12.2 mm -71.0 -43.64 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.7 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 5.1 m-80 -59.97 -55.66 31.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.4 p -59.29 -40.77 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.689 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.482 ' O ' ' OG ' ' B' ' 19' ' ' SER . 78.9 t80 -63.37 -42.33 98.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.651 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -76.53 -20.82 56.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.766 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.72 -43.33 55.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.804 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -85.55 -9.09 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.921 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 41.8 m -72.49 -21.09 61.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.619 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.84 -14.8 61.41 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -58.62 -108.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.682 0.277 . . . . 0.0 110.464 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -78.13 -36.87 47.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.66 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.92 174.27 46.7 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.573 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 20.0 p-10 -86.19 -68.07 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.33 . . . . 0.0 110.562 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.573 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 51.1 mttm -148.16 -50.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.621 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.03 -17.31 22.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.195 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -89.89 143.05 27.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.741 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.3 tp -140.82 123.02 15.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.9 p -75.25 144.84 42.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.004 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.426 ' HZ2' ' CB ' ' B' ' 64' ' ' ASN . 36.2 tptt -68.12 -29.54 68.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.328 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -56.46 -44.62 80.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.837 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -80.46 -28.41 37.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.915 0.388 . . . . 0.0 110.69 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.457 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.5 tm? -53.5 -51.29 63.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.913 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 11.2 ptmm? -51.22 -37.99 49.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.745 0.307 . . . . 0.0 110.692 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.461 ' O ' ' OG1' ' B' ' 39' ' ' THR . 96.3 mt-10 -78.89 -27.23 43.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.736 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 21.9 tp -66.04 -56.1 13.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.757 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.436 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -52.14 -49.45 63.68 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.419 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.436 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 15.2 pt20 -67.42 -25.62 66.02 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.824 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 29.5 m -75.83 -35.87 59.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -93.85 -26.83 16.75 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.343 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 mp -118.37 45.93 1.91 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.774 0.321 . . . . 0.0 110.415 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 84.7 p -68.37 -27.24 66.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.46 -53.44 5.53 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.344 -0.703 . . . . 0.0 111.344 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -45.3 -66.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.862 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -52.19 -16.9 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.165 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -80.3 -48.21 13.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.675 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.87 39.41 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.449 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.485 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -102.4 134.57 45.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.568 -179.781 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -108.93 -6.3 15.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.469 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -91.65 104.41 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 68.5 t -80.36 -28.87 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.638 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -74.57 -37.38 62.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.69 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.81 -51.22 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 p -64.63 -36.7 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.693 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -57.04 -47.05 81.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.62 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -63.56 -37.73 88.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.549 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 87.7 t -74.54 -30.57 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.66 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ttm -70.25 -51.43 30.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -31.66 72.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.543 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -54.46 -34.4 61.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.557 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.02 -36.71 75.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -74.81 -27.8 60.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.629 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.19 -41.48 77.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.392 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.443 ' C ' ' H ' ' B' ' 66' ' ' ASP . 41.7 m-80 -100.4 32.84 2.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.474 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.27 18.4 4.34 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.443 ' H ' ' C ' ' B' ' 64' ' ' ASN . 70.8 m-20 -51.54 -44.76 62.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.422 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 139.1 -17.35 3.18 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -141.62 133.28 27.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.446 ' O ' ' OD1' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -93.58 -154.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.994 -179.457 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 69' ' ' VAL . 62.6 m-20 -153.19 143.05 22.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.036 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -48.61 -53.02 20.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.783 0.325 . . . . 0.0 110.681 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -55.93 -33.46 64.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.771 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -75.75 -30.72 59.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.159 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -72.13 -40.72 67.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.833 0.349 . . . . 0.0 111.106 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.6 m -74.91 -27.68 20.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.022 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.25 -39.55 35.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.35 -34.64 48.32 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.978 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -62.4 -44.13 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.409 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.86 -35.81 72.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.08 -31.67 52.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.586 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -75.51 -31.16 60.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.475 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -69.85 -55.77 8.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.8 p -58.23 -31.18 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.15 -22.46 66.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.618 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -94.29 -39.36 10.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.614 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -54.93 -41.34 70.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.716 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.481 ' O ' ' O ' ' B' ' 90' ' ' TRP . 7.2 t-20 -47.73 -24.38 0.93 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.712 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -59.36 -45.72 90.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -58.53 -50.04 75.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.808 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.481 ' O ' ' O ' ' B' ' 87' ' ' ASN . 53.6 m95 -95.41 -177.17 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.504 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 51.79 54.52 10.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.595 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -75.79 128.76 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.554 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.479 -179.906 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.581 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -68.61 162.92 24.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.834 0.35 . . . . 0.0 110.615 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.72 -34.39 74.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.613 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.513 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 2.9 tm? -56.72 -48.46 77.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.03 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.52 -33.13 74.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.317 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.4 m -67.58 -35.12 78.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.487 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.33 -45.55 80.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.466 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.8 mmm -64.31 -37.12 86.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.371 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -55.31 -38.52 68.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.5 m -57.28 -43.83 83.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.664 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -57.16 -31.17 65.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.547 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.409 HG22 HD12 ' A' ' 12' ' ' ILE . 15.5 mm -70.58 -41.77 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.732 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -62.02 -55.56 27.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.24 -38.08 80.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.679 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -61.94 -38.0 86.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.725 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -88.73 -18.05 28.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.777 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.67 -35.53 77.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.779 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -93.59 -7.75 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.755 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.472 ' O ' ' O ' ' A' ' 23' ' ' GLY . 69.7 m -74.41 -10.43 59.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.77 -17.72 79.59 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -55.38 -73.57 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 110.647 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -117.16 -56.37 2.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 19' ' ' SER . . . -52.64 158.93 3.4 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -71.77 -64.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.616 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -145.58 -72.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.435 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -77.47 -5.89 51.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.267 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -94.81 138.69 32.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -143.8 123.83 13.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.264 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.4 p -68.81 142.65 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -66.65 -32.49 73.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.478 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -57.54 -42.73 83.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.666 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -80.77 -28.24 36.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.014 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.516 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 3.2 tm? -60.84 -51.32 69.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.762 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -51.82 -34.76 41.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.636 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 39' ' ' THR . 92.4 mt-10 -78.65 -27.29 45.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.517 179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.6 tp -72.43 -56.25 5.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.368 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.478 ' CD1' ' C ' ' A' ' 37' ' ' LEU . 1.4 pp -50.84 -39.83 54.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.285 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -76.97 -25.99 53.41 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.03 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 50.5 m -75.85 -37.34 59.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.45 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -88.07 -26.98 22.25 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.411 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.33 44.41 2.46 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.847 0.356 . . . . 0.0 110.342 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.492 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 52.0 p -68.43 -27.92 66.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.76 -50.6 10.88 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.448 ' C ' ' H ' ' A' ' 46' ' ' ASP . 19.1 m-85 -49.45 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.587 0.232 . . . . 0.0 110.869 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.82 -8.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.319 . . . . 0.0 110.772 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' OD2' ' O ' ' A' ' 42' ' ' SER . 29.9 m-20 -105.8 -11.4 16.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.589 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.56 -2.97 14.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.571 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.3 pp0? -101.15 133.93 44.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.619 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -94.92 -9.75 33.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.571 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 49.9 m-20 -68.01 102.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.5 t -79.4 -29.74 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -71.36 -36.93 71.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.674 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.16 -51.45 67.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.762 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.1 -31.85 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.695 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -55.18 -48.26 74.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.743 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.55 -36.08 81.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.611 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.5 t -73.75 -30.56 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.685 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.2 ttt -74.3 -51.65 14.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.753 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -62.09 -32.49 73.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.55 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.436 ' C ' ' OE1' ' A' ' 60' ' ' GLU . 13.6 tm-20 -55.66 -33.67 64.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.42 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.9 mt -60.88 -37.44 82.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.562 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.87 -28.64 60.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.684 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -75.9 -40.96 53.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.498 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -94.31 44.33 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.522 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -83.26 7.02 69.2 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' GLY . 51.0 t0 -36.94 -28.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.441 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 111.03 -11.23 29.34 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -144.18 132.21 21.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.978 0.418 . . . . 0.0 110.608 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.423 ' CG1' ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.82 -154.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.329 -179.842 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.423 ' H ' ' CG1' ' A' ' 69' ' ' VAL . 70.0 m-20 -152.61 142.35 21.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.966 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -49.11 -49.07 43.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.759 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -58.52 -33.62 70.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 77' ' ' LEU . 68.1 mm-40 -73.59 -30.94 63.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.091 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -69.06 -42.67 75.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.929 0.395 . . . . 0.0 111.132 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.4 m -75.14 -28.0 20.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -39.6 32.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.412 ' CD2' ' O ' ' A' ' 73' ' ' GLU . 2.5 pp -77.9 -35.04 51.14 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.071 -0.651 . . . . 0.0 111.923 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.7 m -61.71 -43.33 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.624 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.97 -40.98 78.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.921 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.34 -30.77 19.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.652 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.38 -33.79 61.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.632 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.7 m -68.46 -55.41 11.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.896 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -53.36 -29.68 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.752 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.67 -26.59 67.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.655 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.7 t -91.1 -53.28 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.775 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -48.98 -38.11 22.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.76 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.478 ' O ' ' O ' ' A' ' 90' ' ' TRP . 20.1 t-20 -54.5 -24.5 20.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.694 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -57.07 -39.78 75.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.773 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -64.36 -48.1 76.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.648 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.478 ' O ' ' O ' ' A' ' 87' ' ' ASN . 72.8 m95 -91.07 125.31 35.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.544 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -171.6 -51.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.484 ' O ' ' O ' ' A' ' 93' ' ' SER . 28.5 t-20 51.06 97.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.484 ' O ' ' O ' ' A' ' 92' ' ' ASN . 1.9 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.568 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -68.76 162.92 25.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.568 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.71 -34.25 74.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.627 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.516 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 2.9 tm? -56.84 -48.4 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.32 -33.26 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.466 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 27.6 m -67.62 -35.02 78.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.461 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.4 -45.55 80.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.7 mmm -64.34 -37.12 86.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.312 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -55.26 -38.56 68.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.5 m -57.25 -43.83 83.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.652 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -57.33 -31.15 65.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.434 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -70.45 -41.89 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -61.89 -55.47 29.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.31 -38.14 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.695 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -62.0 -37.87 86.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.719 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -88.91 -17.94 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.763 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.65 -35.53 77.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.711 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -93.68 -7.67 43.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.729 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.46 ' O ' ' O ' ' B' ' 23' ' ' GLY . 68.8 m -74.49 -10.32 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.614 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.85 -17.64 79.64 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -55.41 -73.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.643 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -117.28 -56.35 2.24 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.514 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' B' ' 19' ' ' SER . . . -52.69 158.93 3.44 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -71.81 -64.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.561 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -145.6 -72.52 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.466 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -77.54 -5.97 51.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.259 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -94.74 138.67 32.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.591 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -143.68 123.85 13.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.226 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.9 p -68.75 142.52 54.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.4 tptt -66.46 -32.61 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.434 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -57.52 -42.76 83.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.683 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -80.64 -28.34 36.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.06 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.517 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 3.2 tm? -60.78 -51.32 69.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.785 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -51.83 -34.86 42.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.572 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.449 ' O ' ' OG1' ' B' ' 39' ' ' THR . 92.5 mt-10 -78.66 -27.3 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.47 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 19.8 tp -72.32 -56.25 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.449 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' B' ' 37' ' ' LEU . 1.4 pp -50.9 -39.8 55.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.171 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -77.01 -25.9 53.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 111.081 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 50.3 m -75.97 -37.19 58.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.418 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -88.2 -26.97 22.11 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.344 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.28 44.29 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.294 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.492 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 51.9 p -68.28 -27.94 66.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.748 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.85 -50.43 11.12 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.457 ' C ' ' H ' ' B' ' 46' ' ' ASP . 19.3 m-85 -49.44 -65.35 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.643 0.258 . . . . 0.0 110.907 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.84 -8.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.758 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.492 ' OD2' ' O ' ' B' ' 42' ' ' SER . 29.9 m-20 -105.78 -11.44 16.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.614 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.65 -2.94 14.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.57 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.3 pp0? -101.11 134.01 44.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.619 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -95.0 -9.67 33.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.608 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.57 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 50.0 m-20 -68.1 102.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.582 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -79.36 -29.72 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.657 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -71.28 -36.99 71.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.33 68.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.742 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.12 -31.96 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.589 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -55.14 -48.22 73.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.54 -36.02 81.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.657 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.84 -30.44 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.716 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.3 ttt -74.31 -51.73 14.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.72 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -62.21 -32.3 72.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.584 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.441 ' OE1' ' C ' ' B' ' 60' ' ' GLU . 13.7 tm-20 -55.82 -33.56 64.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.38 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.99 -37.39 82.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.558 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -74.85 -28.54 60.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.75 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -75.95 -41.06 52.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.399 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -94.28 44.4 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.064 0.459 . . . . 0.0 110.602 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -83.18 6.77 70.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' B' ' 65' ' ' GLY . 51.0 t0 -36.93 -28.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.396 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 110.95 -11.44 29.49 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -143.68 132.54 22.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.6 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.421 ' CG1' ' H ' ' B' ' 70' ' ' ASP . 0.7 OUTLIER -94.41 -153.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.045 -179.565 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.421 ' H ' ' CG1' ' B' ' 69' ' ' VAL . 70.1 m-20 -152.66 142.35 21.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.994 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -49.0 -49.27 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.71 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -58.44 -33.67 69.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' B' ' 77' ' ' LEU . 68.4 mm-40 -73.42 -30.94 63.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.211 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -69.27 -42.67 75.23 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.878 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.9 m -75.22 -27.93 20.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.68 -39.51 31.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 N-CA-C 112.567 0.581 . . . . 0.0 112.567 -178.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.406 ' CD2' ' O ' ' B' ' 73' ' ' GLU . 2.5 pp -77.88 -35.2 51.12 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.906 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 31.6 m -61.59 -43.28 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.664 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.26 -40.81 77.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.32 -30.76 19.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.704 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.49 -33.72 60.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.634 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 78.5 m -68.54 -55.52 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.7 p -53.27 -29.72 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.662 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.58 -26.69 67.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.658 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -90.88 -53.4 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -49.03 -38.08 22.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.77 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.469 ' O ' ' O ' ' B' ' 90' ' ' TRP . 20.0 t-20 -54.44 -24.35 19.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.817 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -57.26 -39.63 76.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -64.31 -48.24 76.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.591 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.469 ' O ' ' O ' ' B' ' 87' ' ' ASN . 72.8 m95 -90.99 125.35 35.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.525 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -171.62 -51.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.595 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.486 ' O ' ' O ' ' B' ' 93' ' ' SER . 28.5 t-20 51.01 97.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.61 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.486 ' O ' ' O ' ' B' ' 92' ' ' ASN . 1.9 t . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.621 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -67.46 166.56 14.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.69 0.281 . . . . 0.0 110.599 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -53.59 -36.44 61.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.516 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 2.8 tm? -60.59 -48.18 82.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.219 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.04 -34.33 77.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.6 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 m -65.43 -34.79 79.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.04 -44.41 82.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.503 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.5 mmm -64.83 -40.89 95.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.529 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -54.19 -33.95 59.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.543 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.6 m -60.63 -45.88 92.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.697 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -54.8 -31.16 58.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.512 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 mm -71.43 -43.25 72.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.673 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -59.83 -55.55 32.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.699 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.3 -35.19 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.498 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -61.02 -51.76 67.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.667 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -72.93 -19.9 61.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.662 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.42 84.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.656 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.401 ' CD2' ' CD1' ' A' ' 36' ' ' LEU . 55.0 m-70 -93.75 -14.67 25.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.75 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.6 m -63.88 -21.09 66.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.616 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.21 -17.81 77.64 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -57.47 -46.76 83.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.588 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' GLY . 68.3 mm-40 -145.72 -64.95 0.32 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 22' ' ' GLU . . . -36.22 145.39 0.08 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -57.2 -57.24 13.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 0.0 110.575 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -154.47 -71.85 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.638 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.13 -19.07 40.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.242 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -80.03 151.97 29.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 tp -150.6 118.85 6.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.445 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.44 151.24 44.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.249 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -69.1 -34.34 74.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.29 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -57.21 -39.99 76.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.609 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -81.69 -37.87 26.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.49 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.88 -42.63 90.07 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.732 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 16.5 ptmt -52.35 -40.0 61.4 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.684 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.49 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.4 mt-10 -80.01 -29.11 39.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.948 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.401 ' CD1' ' CD2' ' A' ' 18' ' ' HIS . 34.9 tp -58.24 -54.29 48.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.872 -178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HG ' ' H ' ' A' ' 38' ' ' GLN . 3.0 pp -50.47 -48.2 56.72 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.322 -178.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.412 ' H ' ' HG ' ' A' ' 37' ' ' LEU . 10.2 pt20 -73.46 -25.83 60.66 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.944 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 95.4 m -70.76 -35.16 72.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.145 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -91.85 -26.89 18.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.244 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mp -113.25 46.87 1.19 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.544 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.3 t -68.33 -27.3 66.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.12 -49.74 9.26 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.559 ' C ' ' H ' ' A' ' 46' ' ' ASP . 22.1 m-85 -52.69 -62.78 1.43 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.776 0.322 . . . . 0.0 110.971 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 45' ' ' LEU . 3.8 pp -52.27 -6.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.942 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.559 ' H ' ' C ' ' A' ' 44' ' ' PHE . 10.9 t0 -95.16 -39.67 9.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.493 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.16 34.69 2.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.262 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.479 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -98.45 134.27 41.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.644 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -106.74 -12.25 15.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.495 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -92.4 106.08 18.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.617 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.57 -26.11 7.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.482 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -75.52 -31.98 60.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.674 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.38 -51.53 43.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.721 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.34 -33.34 63.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.695 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.73 -49.29 78.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -61.45 -36.76 81.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.2 t -76.86 -30.62 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.759 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.2 ttt -73.71 -51.13 17.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.498 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -62.43 -32.81 73.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.611 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -56.13 -30.89 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.394 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.46 -39.22 92.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.509 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.09 -28.91 64.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.714 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -74.13 -35.52 64.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.532 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.467 ' C ' ' H ' ' A' ' 66' ' ' ASP . 1.9 m-80 -94.97 28.21 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.598 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.88 17.58 2.75 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.467 ' H ' ' C ' ' A' ' 64' ' ' ASN . 94.8 m-20 -49.8 -43.98 48.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.522 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.7 -16.91 3.51 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -148.76 132.08 16.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.919 0.39 . . . . 0.0 110.613 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.423 ' CG1' ' H ' ' A' ' 70' ' ' ASP . 0.4 OUTLIER -92.55 -154.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.537 0.684 . . . . 0.0 111.294 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.423 ' H ' ' CG1' ' A' ' 69' ' ' VAL . 47.3 m-20 -147.14 133.15 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.305 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -48.1 -44.48 31.82 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.454 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -54.83 -37.13 65.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 109.981 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -75.85 -30.72 59.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.544 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.42 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 61.9 t80 -63.63 -39.08 93.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.4 m -75.74 -31.11 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.72 -39.44 31.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.47 -33.68 48.16 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.146 -0.622 . . . . 0.0 112.0 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.42 ' CG1' ' O ' ' A' ' 74' ' ' TYR . 26.9 m -63.31 -43.26 98.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.434 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.62 -36.42 70.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.744 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.21 -32.39 10.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.587 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.5 mt -75.12 -33.35 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.7 m -71.58 -55.2 8.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.61 -25.07 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.07 32.16 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.568 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.0 t -147.57 -53.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -55.94 -31.59 63.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.492 ' O ' ' O ' ' A' ' 90' ' ' TRP . 41.2 t-20 -44.36 -26.55 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -52.79 -45.59 67.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.455 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -62.86 -46.68 86.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.717 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.492 ' O ' ' O ' ' A' ' 87' ' ' ASN . 82.4 m95 -94.96 113.18 24.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.519 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -61.3 -11.62 10.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.589 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.413 ' O ' ' OG ' ' A' ' 93' ' ' SER . 31.0 t-20 66.42 90.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.611 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 92' ' ' ASN . 49.6 p . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.634 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.1 p -67.57 166.59 14.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -53.62 -36.45 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.642 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.518 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 2.8 tm? -60.36 -48.3 82.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.98 -34.39 77.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.583 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.8 m -65.34 -34.98 79.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.74 -44.51 81.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.6 mmm -64.96 -40.84 95.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.451 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -54.13 -34.03 59.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.9 m -60.71 -45.77 92.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.707 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -54.65 -31.29 57.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.522 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 mm -71.39 -43.16 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.777 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -59.92 -55.52 33.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.667 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 p -60.31 -35.04 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.511 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -61.08 -51.84 67.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -72.87 -19.91 61.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.707 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.24 84.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.624 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.414 ' CD2' ' CD1' ' B' ' 36' ' ' LEU . 54.9 m-70 -93.89 -14.74 25.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.679 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 45.3 m -63.8 -21.13 66.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.571 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.26 -17.67 77.62 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -57.58 -46.72 83.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.754 0.311 . . . . 0.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' B' ' 23' ' ' GLY . 68.2 mm-40 -145.69 -65.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' B' ' 22' ' ' GLU . . . -36.22 145.42 0.08 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -57.33 -57.08 14.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.775 0.322 . . . . 0.0 110.655 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -154.51 -71.83 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.623 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.07 -19.22 40.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.288 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -79.99 151.92 29.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.551 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 tp -150.65 118.8 6.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.438 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.43 151.17 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.215 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -68.97 -34.44 75.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.275 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -57.14 -40.0 76.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.623 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -81.72 -37.85 26.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.475 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.84 -42.86 90.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.7 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 16.5 ptmt -52.32 -39.9 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.687 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' B' ' 39' ' ' THR . 96.4 mt-10 -80.07 -29.0 39.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.414 ' CD1' ' CD2' ' B' ' 18' ' ' HIS . 35.0 tp -58.3 -54.16 50.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.963 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.426 ' HG ' ' H ' ' B' ' 38' ' ' GLN . 3.0 pp -50.47 -48.24 56.7 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.341 -178.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.426 ' H ' ' HG ' ' B' ' 37' ' ' LEU . 10.2 pt20 -73.54 -25.76 60.55 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.96 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 95.8 m -70.86 -35.03 72.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.062 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -92.0 -26.67 18.26 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.3 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 mp -113.29 46.9 1.19 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.809 0.338 . . . . 0.0 110.518 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 32.5 t -68.56 -27.18 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.15 -49.71 9.26 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.563 ' C ' ' H ' ' B' ' 46' ' ' ASP . 22.1 m-85 -52.76 -62.68 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 111.025 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.49 ' CD1' ' C ' ' B' ' 45' ' ' LEU . 3.8 pp -52.37 -6.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.971 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.563 ' H ' ' C ' ' B' ' 44' ' ' PHE . 11.1 t0 -95.11 -39.8 9.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.5 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.07 34.7 2.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.359 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.481 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -98.44 134.38 41.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.654 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -106.75 -12.18 15.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.51 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -92.43 106.0 18.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.559 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -83.32 -26.3 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -75.5 -31.95 60.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.68 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.31 -51.61 42.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.725 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.31 -33.38 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.706 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.65 -49.28 78.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.63 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -61.55 -36.69 81.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 94.4 t -76.89 -30.61 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.1 ttt -73.7 -51.14 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.493 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -62.43 -32.96 73.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -56.09 -30.72 62.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.508 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 37.9 mt -62.56 -39.25 93.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.04 -28.92 64.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.655 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -74.18 -35.49 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.456 ' C ' ' H ' ' B' ' 66' ' ' ASP . 1.9 m-80 -94.99 28.27 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.521 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.94 17.65 2.76 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.456 ' H ' ' C ' ' B' ' 64' ' ' ASN . 94.9 m-20 -49.86 -43.84 49.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.507 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.52 -16.76 3.55 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -148.8 131.95 16.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 110.64 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.404 ' CG1' ' H ' ' B' ' 70' ' ' ASP . 0.5 OUTLIER -93.5 -154.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.471 0.653 . . . . 0.0 111.071 -179.706 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.404 ' H ' ' CG1' ' B' ' 69' ' ' VAL . 47.5 m-20 -147.29 133.11 19.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.362 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -48.02 -44.59 31.04 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.461 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -54.58 -37.32 65.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.407 . . . . 0.0 109.947 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -75.95 -30.56 58.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.535 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.422 ' O ' ' CG1' ' B' ' 78' ' ' VAL . 61.8 t80 -63.63 -39.09 93.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.757 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.81 -31.04 21.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.77 -39.49 31.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 pp -78.54 -33.55 47.8 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.078 -0.649 . . . . 0.0 112.0 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.422 ' CG1' ' O ' ' B' ' 74' ' ' TYR . 26.9 m -63.4 -43.29 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.388 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.5 -36.7 71.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.693 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.19 -32.26 10.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.555 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 70.5 mt -75.32 -33.08 61.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.521 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.1 m -71.82 -55.13 8.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.628 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.6 -24.96 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.671 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.14 32.2 0.55 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.537 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.1 t -147.58 -53.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.554 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -55.97 -31.49 63.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.67 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.487 ' O ' ' O ' ' B' ' 90' ' ' TRP . 41.1 t-20 -44.39 -26.65 0.36 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.587 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -52.57 -45.72 66.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.607 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -62.71 -46.88 86.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.615 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.487 ' O ' ' O ' ' B' ' 87' ' ' ASN . 82.1 m95 -94.83 113.09 24.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.615 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -61.27 -11.65 10.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.648 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.419 ' O ' ' OG ' ' B' ' 93' ' ' SER . 31.0 t-20 66.5 90.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 92' ' ' ASN . 47.6 p . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.611 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -71.34 155.57 40.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.549 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.44 -38.23 90.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 2.7 tm? -62.61 -47.61 83.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.344 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.76 -32.49 71.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.532 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.3 m -66.87 -37.11 83.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.545 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.45 -43.84 75.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.3 mmm -66.67 -38.13 86.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.415 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -53.97 -36.6 63.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.4 m -58.32 -45.6 87.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.781 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 4.0 mm? -54.36 -31.23 54.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.441 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.448 HD12 HG21 ' A' ' 12' ' ' ILE . 12.5 mm -70.45 -44.1 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -59.99 -55.72 30.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.826 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 11.7 p -61.6 -41.19 89.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.547 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.489 ' O ' ' OG ' ' A' ' 19' ' ' SER . 74.8 t80 -60.07 -48.29 82.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.67 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -73.41 -19.04 61.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.691 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.8 -42.65 70.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.717 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -84.35 -27.48 27.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.695 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 16.3 m -65.36 -14.79 61.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.602 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.1 1.82 30.74 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -74.79 -106.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.641 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -82.53 -27.86 31.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.679 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.95 174.77 48.64 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -87.15 -72.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.33 . . . . 0.0 110.544 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -144.19 -48.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.408 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -99.7 -4.59 30.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.352 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -95.17 129.76 42.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.471 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 tp -124.81 114.96 19.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 m -59.42 151.9 22.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.037 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.565 ' HZ1' ' CD2' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -69.02 -38.87 79.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.574 179.7 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.12 -44.27 83.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.468 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -76.6 -28.24 56.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.82 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.503 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 2.8 tm? -64.51 -54.66 28.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.758 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -57.27 -38.19 73.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.816 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.473 ' O ' ' OG1' ' A' ' 39' ' ' THR . 72.7 mt-10 -78.94 -27.23 43.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.85 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.5 tp -62.63 -55.4 27.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.902 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' HG ' ' H ' ' A' ' 38' ' ' GLN . 3.3 pp -50.75 -49.4 58.02 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.499 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.478 ' O ' ' OG ' ' A' ' 42' ' ' SER . 11.3 pt20 -66.34 -25.56 66.87 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.048 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 41.7 m -76.93 -38.28 53.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.383 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -93.5 -27.02 16.91 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.376 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.63 46.86 1.83 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.807 0.337 . . . . 0.0 110.349 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -68.24 -28.89 67.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 -179.829 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.64 -53.53 6.49 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.404 ' C ' ' H ' ' A' ' 46' ' ' ASP . 19.6 m-85 -45.7 -64.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.586 0.232 . . . . 0.0 111.0 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 pp -55.27 -10.05 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 0.0 111.078 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 44' ' ' PHE . 35.4 t0 -101.32 -11.37 19.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.761 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.81 -2.93 15.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.948 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.547 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.4 pp0? -99.7 139.44 35.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.696 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -105.17 -12.15 16.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.591 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.547 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 84.9 m-20 -61.36 105.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.588 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.2 t -77.67 -35.68 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -69.54 -34.68 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.815 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.77 -51.49 61.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.713 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.04 -32.32 53.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.584 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.62 -46.07 91.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.557 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -65.44 -38.33 89.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.526 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.3 t -74.61 -30.44 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.8 ttt -71.52 -51.41 23.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.406 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -64.88 -33.6 76.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.657 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -53.6 -31.06 45.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.565 ' CD2' ' HZ1' ' A' ' 30' ' ' LYS . 21.1 mt -64.42 -35.82 82.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.504 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.34 -27.63 61.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.609 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.89 -37.27 75.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.468 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.6 ' C ' ' H ' ' A' ' 66' ' ' ASP . 31.3 m-80 -90.33 24.61 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.749 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . -50.0 -5.77 0.07 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.6 ' H ' ' C ' ' A' ' 64' ' ' ASN . 57.3 t0 -35.07 -40.15 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.814 0.34 . . . . 0.0 110.641 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.48 -3.25 11.19 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -169.28 133.79 1.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.912 0.387 . . . . 0.0 110.808 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -91.73 -170.09 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.894 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -124.77 151.98 44.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.893 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -48.56 -48.6 38.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.856 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -57.03 -33.83 67.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.698 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.407 ' O ' ' CD2' ' A' ' 77' ' ' LEU . 77.5 mm-40 -75.6 -30.81 59.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -68.51 -40.06 81.0 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.108 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.8 m -75.5 -28.86 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.8 -40.34 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' A' ' 73' ' ' GLU . 2.6 pp -78.34 -35.3 47.75 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.075 -178.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.66 -41.27 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.01 -40.47 60.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.715 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.42 -30.57 2.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.8 mt -75.4 -38.64 59.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.656 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.7 m -63.86 -54.95 26.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.748 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.499 ' C ' ' H ' ' A' ' 85' ' ' CYS . 7.4 p -52.04 -36.43 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.722 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.29 30.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.499 ' H ' ' C ' ' A' ' 83' ' ' VAL . 47.3 t -149.49 -55.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.61 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 88' ' ' PHE . 89.4 m-20 -52.92 -36.41 59.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.565 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 87' ' ' ASN . 0.5 OUTLIER -40.4 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 86' ' ' ASN . 46.6 t80 -56.39 -39.76 73.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.684 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -55.66 -48.56 74.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.742 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -86.05 149.27 25.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.574 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -66.98 132.86 48.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.492 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -87.06 111.9 21.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.549 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.557 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.772 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -71.27 155.63 40.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.615 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.47 -38.16 90.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.497 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.523 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 2.7 tm? -62.68 -47.57 83.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.318 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.79 -32.47 71.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 39.3 m -66.87 -37.08 83.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.606 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.52 -43.84 76.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.547 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 61.0 mmm -66.62 -38.19 86.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.41 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -54.0 -36.54 63.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.516 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.7 m -58.36 -45.57 87.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.737 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -54.42 -31.27 54.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.423 HG21 HD12 ' B' ' 12' ' ' ILE . 12.4 mm -70.41 -43.99 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.734 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -60.09 -55.63 31.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.882 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 11.6 p -61.62 -41.06 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.68 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.487 ' O ' ' OG ' ' B' ' 19' ' ' SER . 75.2 t80 -60.07 -48.36 82.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.688 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -73.27 -19.21 61.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.634 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.81 -42.49 70.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.782 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -84.45 -27.55 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.487 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 16.3 m -65.27 -14.67 61.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.16 1.77 31.54 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -74.78 -106.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.724 0.297 . . . . 0.0 110.675 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -82.57 -27.74 31.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.682 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.88 174.74 48.49 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -87.07 -72.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 110.545 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -144.14 -48.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -99.7 -4.5 30.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.461 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -95.22 129.72 42.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.499 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 tp -124.74 114.92 19.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 5.8 m -59.25 151.77 22.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.063 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.557 ' HZ1' ' CD2' ' B' ' 61' ' ' LEU . 0.1 OUTLIER -69.0 -38.82 79.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.618 179.661 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.412 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.05 -44.39 82.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.954 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -76.3 -28.49 56.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.83 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.51 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.8 tm? -64.35 -54.85 26.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.698 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -57.11 -38.2 73.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.46 ' O ' ' OG1' ' B' ' 39' ' ' THR . 72.7 mt-10 -79.17 -26.98 42.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 21.4 tp -62.8 -55.35 27.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.812 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -50.75 -49.38 58.11 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.517 -178.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.488 ' O ' ' OG ' ' B' ' 42' ' ' SER . 11.3 pt20 -66.34 -25.53 66.86 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.05 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 41.7 m -76.94 -38.43 53.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.244 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -93.47 -26.89 16.99 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.379 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.65 46.86 1.83 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.875 0.369 . . . . 0.0 110.462 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 0.7 OUTLIER -68.21 -28.78 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.77 -53.52 6.39 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.412 ' C ' ' H ' ' B' ' 46' ' ' ASP . 19.3 m-85 -45.66 -64.33 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.597 0.237 . . . . 0.0 111.0 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 pp -55.29 -10.0 0.52 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.781 0.324 . . . . 0.0 111.035 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' B' ' 44' ' ' PHE . 35.2 t0 -101.29 -11.41 19.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.808 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.84 -2.88 15.08 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.538 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.4 pp0? -99.79 139.45 35.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.659 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -105.21 -12.16 16.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.488 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.538 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 85.1 m-20 -61.47 105.54 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.522 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 75.7 t -77.76 -35.47 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.696 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -69.65 -34.75 74.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.709 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.67 -51.51 62.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.752 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.95 -32.38 54.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.589 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.61 -46.08 91.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.612 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -65.46 -38.28 89.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.538 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.5 t -74.67 -30.3 24.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.573 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.8 ttt -71.67 -51.38 23.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.456 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -64.75 -33.74 76.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -53.56 -30.98 44.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.558 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.557 ' CD2' ' HZ1' ' B' ' 30' ' ' LYS . 21.0 mt -64.54 -35.77 82.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.467 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -73.37 -27.56 61.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.653 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.0 -37.2 75.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.555 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.6 ' C ' ' H ' ' B' ' 66' ' ' ASP . 31.1 m-80 -90.29 24.72 2.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.811 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' B' ' 66' ' ' ASP . . . -50.05 -5.86 0.08 OUTLIER Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.6 ' H ' ' C ' ' B' ' 64' ' ' ASN . 57.0 t0 -34.98 -40.12 0.11 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.717 0.294 . . . . 0.0 110.742 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.43 -3.16 11.25 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -169.27 133.98 1.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -92.44 -170.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.666 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -124.51 151.92 44.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.045 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -48.54 -48.66 38.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -56.88 -34.01 67.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.363 . . . . 0.0 110.73 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -75.49 -30.8 59.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -68.46 -40.09 81.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.137 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.52 -28.79 20.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.89 -40.48 31.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.36 -35.06 47.92 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.191 -0.604 . . . . 0.0 112.104 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.84 -41.18 84.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.375 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.01 -40.58 60.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.665 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.44 -30.44 2.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.741 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 76.8 mt -75.48 -38.64 59.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.617 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 95.1 m -63.96 -54.75 29.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.805 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.502 ' C ' ' H ' ' B' ' 85' ' ' CYS . 7.4 p -52.22 -36.36 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.661 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.31 30.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.502 ' H ' ' C ' ' B' ' 83' ' ' VAL . 47.1 t -149.52 -55.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.666 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' B' ' 88' ' ' PHE . 89.4 m-20 -52.86 -36.56 59.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.604 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' B' ' 87' ' ' ASN . 0.5 OUTLIER -40.44 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' B' ' 86' ' ' ASN . 46.7 t80 -56.61 -39.7 74.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.612 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -55.56 -48.55 74.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -86.13 149.34 25.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -66.89 132.79 48.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.565 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -86.97 111.77 21.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.587 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.571 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -63.3 146.93 52.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 110.657 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.484 ' O ' ' OG1' ' A' ' 6' ' ' THR . 86.2 tt0 -55.15 -31.76 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.721 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -48.45 76.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -65.42 -34.43 78.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.509 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 61.0 p -69.37 -34.66 74.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.774 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.93 -38.38 67.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.516 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.6 mmm -76.8 -33.25 58.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.959 0.409 . . . . 0.0 110.398 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -57.07 -37.43 71.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.752 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.0 m -58.84 -40.53 84.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -61.2 -31.16 70.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.588 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.438 HG21 HD11 ' A' ' 12' ' ' ILE . 15.4 mm -69.92 -41.71 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -61.17 -55.62 30.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.12 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 p -59.86 -37.86 73.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.824 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.476 ' O ' ' OG ' ' A' ' 19' ' ' SER . 69.1 t80 -60.61 -40.61 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -82.29 -17.69 44.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.7 -35.42 57.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.785 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -92.61 -12.56 31.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 73.0 m -76.96 9.04 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.81 0.338 . . . . 0.0 110.673 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.39 0.1 53.64 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -63.46 -52.04 63.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.68 0.276 . . . . 0.0 110.733 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -149.49 -44.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.566 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.72 148.7 3.51 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -42.79 -88.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.57 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -142.21 -55.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.476 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.7 34.98 1.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.166 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -136.41 148.29 47.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.577 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.0 tp -133.44 125.65 29.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.8 p -75.04 144.49 43.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -66.18 -30.08 70.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.426 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -56.52 -45.15 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.038 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -80.35 -28.21 38.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.35 . . . . 0.0 110.767 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.489 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 2.9 tm? -53.76 -52.95 58.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.902 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 17.8 ptmt -51.42 -39.17 56.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.472 ' O ' ' OG1' ' A' ' 39' ' ' THR . 70.0 mt-10 -79.19 -27.26 42.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.796 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.5 tp -63.34 -55.97 20.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.791 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.4 pp -51.65 -50.8 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.537 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.461 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 11.0 pt20 -65.25 -25.69 67.78 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.191 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 97.6 m -70.53 -42.37 71.34 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.42 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.75 -27.06 16.71 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.344 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 mp -115.07 40.04 2.75 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.728 0.299 . . . . 0.0 110.325 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.431 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 1.2 p -65.68 -28.59 69.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.921 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.25 -47.37 29.98 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -51.37 -63.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.669 0.271 . . . . 0.0 110.988 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -56.96 -27.38 61.16 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.058 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 42' ' ' SER . 91.5 m-20 -72.71 -41.1 65.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.617 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.94 39.43 1.79 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.398 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -99.84 137.38 38.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.646 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -104.79 -13.55 15.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.49 ' OD2' ' O ' ' A' ' 84' ' ' ALA . 21.4 m-20 -91.53 106.05 18.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.52 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.1 t -80.04 -32.15 13.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.575 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 58.3 t0 -70.31 -35.41 73.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.96 -51.47 69.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.63 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.8 -31.92 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -58.33 -46.22 86.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.71 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.83 -36.78 85.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.534 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.65 -30.26 24.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.503 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.9 ttm -72.63 -51.52 19.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.52 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -64.3 -31.72 73.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.581 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -52.93 -31.84 42.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.42 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.39 -43.39 92.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.609 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -65.6 -33.84 76.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.39 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -69.59 -35.17 75.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.044 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -101.69 95.63 6.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.575 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -119.66 -5.18 11.27 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' GLY . 43.4 t0 -36.79 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.95 0.405 . . . . 0.0 110.543 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 96.87 -6.34 64.41 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -143.31 132.15 22.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 110.396 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.4 ' CG1' ' H ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -92.71 -154.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.309 -179.685 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.4 ' H ' ' CG1' ' A' ' 69' ' ' VAL . 49.4 t0 -150.14 141.72 23.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.861 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -48.71 -50.13 34.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.698 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -57.54 -33.65 68.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.655 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -75.45 -30.89 60.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -69.23 -41.97 76.28 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.946 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.17 -28.08 20.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -39.37 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 pp -77.63 -34.76 53.16 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.928 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.3 m -61.69 -42.02 92.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.336 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.11 -38.74 75.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.624 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.52 -31.79 16.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.474 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.6 mt -75.16 -34.24 61.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.6 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.7 m -69.88 -55.1 10.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.754 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.52 -30.85 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.696 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.49 ' O ' ' OD2' ' A' ' 50' ' ' ASP . . . -64.05 -39.18 93.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.71 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.8 m -83.44 -50.54 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.691 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -51.7 -36.12 45.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.572 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -50.61 -24.75 3.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.723 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -58.55 -45.57 88.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -50.39 -42.56 53.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.56 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -88.64 130.56 35.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.598 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -94.27 128.32 40.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.63 65.87 1.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.5 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.578 179.909 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.771 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -63.26 146.93 52.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.324 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.483 ' O ' ' OG1' ' B' ' 6' ' ' THR . 86.3 tt0 -55.11 -31.82 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.677 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.19 -48.37 76.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.395 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.57 -34.22 77.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.555 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 62.1 p -69.49 -34.68 74.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.779 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.8 -38.44 67.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.617 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.1 mmm -76.69 -33.35 58.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.39 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -57.13 -37.41 71.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.783 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 23.7 m -58.72 -40.57 84.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.787 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.7 mm? -61.11 -31.23 70.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.621 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.5 mm -69.86 -41.9 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -60.95 -55.75 29.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.078 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -59.91 -37.8 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.736 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.464 ' O ' ' OG ' ' B' ' 19' ' ' SER . 69.6 t80 -60.67 -40.46 92.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.711 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -82.33 -17.76 44.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.779 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.56 -35.59 58.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -92.56 -12.51 31.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 72.5 m -77.03 9.18 3.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.601 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.39 0.03 53.63 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -63.44 -51.99 63.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.718 0.294 . . . . 0.0 110.701 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -149.61 -44.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.614 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.74 148.64 3.56 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -42.65 -88.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -142.07 -55.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.66 35.0 1.41 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.207 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -136.43 148.28 47.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.604 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 26.3 tp -133.39 125.7 29.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.341 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.9 p -75.23 144.52 42.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -66.13 -30.06 70.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.47 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -56.57 -45.15 81.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.018 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -80.25 -28.37 38.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.697 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.492 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.9 tm? -53.64 -53.02 57.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.959 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 17.8 ptmt -51.36 -39.29 56.79 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.804 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.491 ' O ' ' OG1' ' B' ' 39' ' ' THR . 70.1 mt-10 -79.07 -27.22 43.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.947 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.7 tp -63.35 -55.97 20.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.792 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.47 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.4 pp -51.76 -50.62 60.31 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.493 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.47 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 11.0 pt20 -65.47 -25.5 67.53 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.179 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 98.1 m -70.73 -42.29 70.75 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.358 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.75 -26.99 16.75 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.318 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 mp -115.05 39.79 2.81 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.705 0.288 . . . . 0.0 110.319 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.444 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 1.2 p -65.36 -28.62 69.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.992 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.27 -47.33 30.04 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -51.61 -63.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.061 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -57.06 -27.5 61.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.953 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' B' ' 42' ' ' SER . 91.9 m-20 -72.76 -40.97 65.57 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.656 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.93 39.48 1.77 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.445 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -99.95 137.38 38.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.626 -179.733 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -104.84 -13.5 15.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.524 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.486 ' OD2' ' O ' ' B' ' 84' ' ' ALA . 21.2 m-20 -91.63 106.12 18.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.619 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 94.3 t -80.26 -31.99 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.473 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' B' ' 52' ' ' ASP . 58.4 t0 -70.25 -35.41 73.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.69 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -51.52 68.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.646 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.0 p -68.75 -32.07 53.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.601 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -58.23 -46.34 86.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.8 -36.81 85.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.524 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 91.1 t -74.67 -30.24 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.0 ttm -72.62 -51.54 19.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.607 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -64.2 -31.76 73.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.584 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -52.95 -31.71 41.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.445 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 62.6 mt -59.43 -43.44 93.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.571 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -65.7 -33.73 76.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.415 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -69.6 -35.23 75.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.999 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -101.63 95.58 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.27 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -119.56 -5.1 11.42 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' B' ' 65' ' ' GLY . 43.4 t0 -36.72 -26.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.4 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 97.08 -7.11 64.34 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -142.18 132.57 25.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.882 0.373 . . . . 0.0 110.471 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -94.16 -154.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.034 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -150.06 141.78 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.897 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -48.73 -50.09 35.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.795 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -57.52 -33.65 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.746 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.34 -31.06 60.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -69.22 -41.98 76.34 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.859 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.22 -28.11 20.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.63 -39.46 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 pp -77.67 -34.82 52.86 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.892 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 29.8 m -61.43 -42.15 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.479 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.02 -38.79 76.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.771 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.57 -31.59 16.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.9 mt -75.36 -34.27 61.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.578 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 31.3 m -69.7 -55.13 10.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 p -57.72 -30.75 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.643 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.486 ' O ' ' OD2' ' B' ' 50' ' ' ASP . . . -64.03 -39.2 93.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.677 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 73.7 m -83.52 -50.33 8.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.768 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -51.86 -36.0 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.607 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -50.63 -24.91 3.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.726 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -58.5 -45.63 88.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -50.11 -42.59 50.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.752 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -88.66 130.53 35.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.547 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -94.34 128.43 40.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.541 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.58 65.79 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.52 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.729 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -75.8 157.07 33.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.748 0.308 . . . . 0.0 110.618 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -59.78 -37.94 80.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.94 -48.61 81.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.183 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.74 -31.31 70.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.27 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.7 m -69.51 -34.94 75.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.602 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.38 -47.16 76.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.59 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.6 mmm -68.15 -36.18 79.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.5 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -56.14 -33.49 65.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.515 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.7 m -60.99 -42.9 99.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.729 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -59.8 -31.23 69.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.479 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.418 HG22 HD12 ' A' ' 12' ' ' ILE . 14.2 mm -70.0 -44.17 78.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.968 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -60.01 -54.8 41.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.5 p -62.05 -41.32 90.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.735 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.413 ' O ' ' OG ' ' A' ' 19' ' ' SER . 89.4 t80 -57.96 -40.93 81.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -79.9 -18.3 50.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.601 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.74 -42.65 60.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -84.37 -10.31 57.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.738 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 74.3 m -76.17 2.78 12.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.588 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.88 -1.47 67.63 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -69.88 -74.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 110.589 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -115.02 -30.74 6.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.494 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.55 152.36 52.32 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -63.53 -52.34 61.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.538 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -169.18 -45.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.644 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.38 28.26 7.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.147 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -136.08 149.32 48.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.458 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 tp -139.16 127.3 22.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.474 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 p -74.35 145.17 44.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.479 ' HZ1' ' CB ' ' A' ' 64' ' ' ASN . 26.9 tptt -66.37 -30.13 70.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.342 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -56.41 -45.18 80.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.801 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -80.63 -28.01 37.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.698 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.487 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 2.5 tm? -53.54 -55.4 25.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 10.8 ptmm? -51.39 -38.38 53.13 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.824 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.481 ' O ' ' OG1' ' A' ' 39' ' ' THR . 93.6 mt-10 -78.88 -27.06 43.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.7 tp -65.27 -56.3 13.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.72 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.66 -50.37 60.49 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.604 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.453 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 12.4 pt20 -65.66 -25.4 67.33 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.276 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 67.2 m -72.36 -42.06 65.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.724 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.73 -26.75 16.87 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.286 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.5 46.3 1.64 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.796 0.332 . . . . 0.0 110.303 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.6 p -68.66 -35.6 77.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.99 -46.63 80.03 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -50.0 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.741 0.305 . . . . 0.0 110.826 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -54.62 -24.35 21.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.046 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.11 -45.04 51.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.534 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.58 42.95 1.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.393 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.484 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -104.1 133.56 48.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.696 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -101.31 -23.52 14.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.421 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -77.16 105.73 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -80.61 -31.99 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.643 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -72.05 -33.43 67.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.719 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.76 -51.25 67.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.67 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.86 -32.59 58.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.589 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -59.91 -43.37 94.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.641 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.54 -38.09 89.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.3 t -75.25 -30.64 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.648 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.4 ttt -71.89 -50.89 25.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.5 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -64.58 -31.71 73.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.521 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -54.21 -33.98 59.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.633 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.2 mt -59.42 -39.74 84.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.637 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -70.17 -31.2 68.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.557 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -69.31 -38.47 78.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.286 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.479 ' CB ' ' HZ1' ' A' ' 30' ' ' LYS . 29.9 m-80 -100.99 97.01 7.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.419 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.565 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -119.67 -6.37 10.44 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' GLY . 27.7 t70 -36.56 -26.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.777 0.322 . . . . 0.0 110.53 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 99.44 -6.37 59.26 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -142.96 131.73 22.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.189 0.518 . . . . 0.0 110.399 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.416 ' CG1' ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.92 -154.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.33 -179.568 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.416 ' H ' ' CG1' ' A' ' 69' ' ' VAL . 22.5 t0 -149.6 143.65 25.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.914 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -48.7 -51.67 27.44 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.819 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -57.43 -34.13 68.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.609 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -74.64 -30.44 61.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -68.46 -43.18 77.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.855 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.9 m -75.07 -27.86 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -38.41 39.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 120.468 -0.493 . . . . 0.0 112.288 -178.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.3 -42.45 30.74 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.741 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.9 m -62.11 -32.4 54.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.285 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.06 -37.62 64.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.431 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.77 -24.01 47.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.703 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.6 mt -75.04 -33.23 61.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.62 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.402 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 91.1 m -68.13 -53.0 28.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.686 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.412 ' C ' ' H ' ' A' ' 85' ' ' CYS . 11.0 p -61.85 -23.56 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.699 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.58 24.66 0.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.705 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.412 ' H ' ' C ' ' A' ' 83' ' ' VAL . 49.0 t -153.41 -43.51 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 82' ' ' THR . 10.5 m120 -53.5 -31.49 46.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.635 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 90' ' ' TRP . 19.6 t30 -49.53 -31.91 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -49.07 -44.45 41.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.64 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -63.14 -32.82 74.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.548 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.479 ' O ' ' O ' ' A' ' 87' ' ' ASN . 92.1 m95 -95.31 142.76 27.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.613 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -147.28 115.57 6.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.534 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.671 HD21 ' N ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -67.63 -36.59 81.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.572 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.671 ' N ' HD21 ' A' ' 92' ' ' ASN . 15.2 m . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -75.99 157.0 33.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 110.63 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -59.5 -38.1 80.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.8 -48.76 80.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.119 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.73 -31.29 70.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.301 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 89.9 m -69.46 -34.95 75.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.664 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.19 76.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.541 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.7 mmm -68.16 -36.22 79.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.918 0.39 . . . . 0.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -56.08 -33.63 65.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.553 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.6 m -60.75 -43.13 98.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.771 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -59.55 -31.38 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.499 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.412 HG22 HD12 ' B' ' 12' ' ' ILE . 14.3 mm -70.02 -44.2 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -60.04 -54.69 43.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.12 -41.4 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.724 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.421 ' O ' ' OG ' ' B' ' 19' ' ' SER . 89.3 t80 -57.7 -40.95 80.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.658 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -79.91 -18.45 50.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.86 -42.58 60.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -84.29 -10.33 57.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.785 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 74.1 m -76.17 2.76 12.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.593 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.92 -1.49 67.51 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -69.94 -74.01 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.705 0.288 . . . . 0.0 110.55 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -115.06 -30.82 6.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.51 152.27 52.27 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -63.43 -52.33 61.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.639 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -169.11 -45.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.568 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.22 28.16 7.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -136.07 149.49 48.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.45 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -139.2 127.37 22.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.426 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.1 p -74.61 145.24 43.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.466 ' HZ1' ' CB ' ' B' ' 64' ' ' ASN . 26.8 tptt -66.47 -29.89 70.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.299 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -56.74 -45.12 82.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.673 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -80.43 -28.23 37.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.718 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.485 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.5 tm? -53.41 -55.48 24.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.416 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 10.9 ptmm? -51.38 -38.45 53.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.914 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.476 ' O ' ' OG1' ' B' ' 39' ' ' THR . 93.6 mt-10 -78.82 -26.97 44.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.7 tp -65.25 -56.32 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.722 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.73 -50.25 60.94 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.569 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.456 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 12.4 pt20 -65.75 -25.44 67.28 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.251 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 66.5 m -72.38 -42.09 65.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.656 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.65 -26.82 16.89 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.322 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.48 46.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 0.0 110.451 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 24.7 p -68.72 -35.49 77.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.05 -46.6 79.75 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -49.96 -66.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.695 0.283 . . . . 0.0 110.744 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.58 -24.31 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.939 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.09 -45.21 50.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.46 43.06 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.474 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -104.18 133.43 49.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.631 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -101.34 -23.29 14.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -77.24 105.79 8.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -80.59 -32.01 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.643 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -72.14 -33.35 67.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.742 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.56 -51.49 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.71 -32.59 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.664 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -59.88 -43.41 94.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.682 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.44 -38.05 89.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.9 t -75.35 -30.64 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.588 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 6.4 ttt -71.76 -51.01 24.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.392 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -64.62 -31.57 72.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.539 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -54.21 -34.05 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.609 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 63.3 mt -59.51 -39.67 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.62 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -70.1 -31.26 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.561 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -69.41 -38.46 77.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.118 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.466 ' CB ' ' HZ1' ' B' ' 30' ' ' LYS . 30.0 m-80 -101.02 97.07 7.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.42 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -119.78 -6.28 10.39 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' B' ' 65' ' ' GLY . 27.7 t70 -36.66 -26.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 110.503 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 99.56 -7.19 59.48 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -141.62 131.92 25.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.405 HG11 ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -94.46 -154.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.035 -179.442 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.405 ' H ' HG11 ' B' ' 69' ' ' VAL . 22.7 t0 -149.38 143.81 26.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.918 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -48.63 -51.82 26.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.79 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -57.25 -34.32 68.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.57 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -74.52 -30.53 61.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -68.35 -43.28 77.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.931 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 31.0 m -75.01 -27.76 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -38.21 37.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 120.427 -0.509 . . . . 0.0 112.261 -178.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 pp -78.41 -42.4 30.25 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.622 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.7 m -62.16 -32.39 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.09 -37.5 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.482 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.9 -23.93 48.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.691 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.12 -33.23 61.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.545 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.403 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 89.6 m -68.01 -53.0 29.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.763 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.416 ' C ' ' H ' ' B' ' 85' ' ' CYS . 10.9 p -61.94 -23.54 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.604 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.48 24.52 0.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.646 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.416 ' H ' ' C ' ' B' ' 83' ' ' VAL . 48.8 t -153.31 -43.43 0.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.587 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' B' ' 82' ' ' THR . 10.5 m120 -53.57 -31.51 46.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.562 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.466 ' O ' ' O ' ' B' ' 90' ' ' TRP . 19.5 t30 -49.5 -31.82 10.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -49.27 -44.39 43.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -63.07 -32.82 74.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.466 ' O ' ' O ' ' B' ' 87' ' ' ASN . 92.2 m95 -95.39 142.74 27.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -147.22 115.5 6.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.674 HD21 ' N ' ' B' ' 93' ' ' SER . 0.5 OUTLIER -67.59 -36.6 81.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.534 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.674 ' N ' HD21 ' B' ' 92' ' ' ASN . 15.2 m . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.578 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.75 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -68.91 156.55 38.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -52.32 -29.3 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.602 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -48.72 68.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -65.09 -32.87 74.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.67 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.7 p -69.4 -34.5 74.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.79 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.85 -41.95 71.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.544 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.8 mmm -70.71 -34.55 72.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.374 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -56.7 -35.33 68.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.571 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.5 m -60.21 -42.48 95.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -59.03 -31.4 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.634 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.449 HD12 HG23 ' A' ' 12' ' ' ILE . 12.5 mm -70.33 -40.41 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.769 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -60.04 -55.68 30.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.46 -39.22 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.737 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.49 ' O ' ' OG ' ' A' ' 19' ' ' SER . 72.2 t80 -59.5 -42.81 93.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.572 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -80.37 -17.72 51.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.671 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.42 -42.13 54.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.964 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -86.74 -9.74 55.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.87 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.49 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 74.9 m -77.73 4.06 12.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.867 0.365 . . . . 0.0 110.528 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.79 -8.7 59.15 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -64.7 -72.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.797 0.332 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -117.41 -13.6 10.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.37 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.18 153.63 34.14 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -86.75 -32.19 20.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.801 0.334 . . . . 0.0 110.574 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' C ' ' H ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -169.66 -91.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.539 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.28 28.04 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 25' ' ' LYS . 45.2 mtmt -121.87 142.04 50.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.624 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 tp -139.46 123.44 17.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.308 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -75.16 143.44 43.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.043 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -68.79 -29.69 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.456 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -56.69 -44.86 81.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.888 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.45 -28.17 37.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.663 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.461 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 2.4 tm? -53.46 -52.58 59.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.894 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -51.25 -36.96 44.48 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.768 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.486 ' O ' ' OG1' ' A' ' 39' ' ' THR . 95.7 mt-10 -79.2 -27.35 42.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.823 0.344 . . . . 0.0 110.836 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.69 -56.23 11.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.805 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.432 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.58 -49.12 62.71 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.274 -178.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.432 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 11.8 pt20 -67.7 -25.57 65.74 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.928 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 42.1 m -72.84 -39.61 66.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.167 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -92.99 -26.75 17.4 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.234 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.58 45.73 2.07 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.682 0.277 . . . . 0.0 110.481 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -68.32 -31.03 70.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.66 -53.0 7.67 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -44.82 -66.96 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.011 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 pp -54.37 -12.84 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.922 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -99.64 -17.06 17.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.787 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.17 -2.93 30.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.773 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.582 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 5.1 pp0? -105.36 146.83 28.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.643 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -115.69 9.82 15.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.404 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.582 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 94.6 m-20 -79.25 106.04 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.657 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.3 t -76.02 -38.83 36.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.692 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -69.03 -38.81 79.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.97 -51.51 66.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.676 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.95 -34.41 64.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.32 -46.91 72.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.621 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -60.63 -38.18 83.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.641 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.89 -30.49 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.56 -51.2 24.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.433 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -63.99 -31.55 72.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.584 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -54.15 -31.96 53.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.7 -39.78 92.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.554 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -74.22 -27.64 60.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.753 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -73.15 -41.18 64.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.505 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.413 ' C ' ' H ' ' A' ' 66' ' ' ASP . 34.8 m-80 -100.93 32.86 3.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.591 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.45 16.32 7.98 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 64' ' ' ASN . 98.6 m-20 -48.55 -45.09 37.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.85 0.357 . . . . 0.0 110.532 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.3 -15.87 3.43 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -142.71 132.63 24.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.05 0.452 . . . . 0.0 110.446 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.422 ' CG1' ' H ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -92.62 -154.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.413 -179.501 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.422 ' H ' ' CG1' ' A' ' 69' ' ' VAL . 12.7 m-20 -150.16 141.26 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.819 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -48.52 -49.74 34.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.789 0.328 . . . . 0.0 110.681 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.06 -33.42 72.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.633 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' O ' ' CD2' ' A' ' 77' ' ' LEU . 17.2 mm-40 -74.29 -30.85 62.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.055 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -70.67 -42.47 70.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.848 0.356 . . . . 0.0 110.958 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 m -74.94 -27.77 20.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.53 -40.4 33.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.409 ' CD2' ' O ' ' A' ' 73' ' ' GLU . 2.6 pp -76.89 -35.02 57.69 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.971 -178.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.1 m -62.06 -41.53 91.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.352 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.82 83.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.45 -32.78 12.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.597 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.1 mt -75.43 -29.84 59.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.597 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.7 m -69.54 -55.14 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.992 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.29 -26.97 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.821 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.81 -22.52 66.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.808 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.9 t -93.81 -56.09 3.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.771 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -47.13 -33.99 5.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.776 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.475 ' O ' ' O ' ' A' ' 90' ' ' TRP . 7.9 t30 -52.69 -28.16 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.634 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -51.47 -48.15 62.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.659 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -58.28 -36.16 72.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.475 ' O ' ' O ' ' A' ' 87' ' ' ASN . 65.0 m95 -95.42 162.0 13.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -128.28 148.63 50.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.469 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.4 ' O ' ' OXT' ' A' ' 93' ' ' SER . 44.7 t30 -146.36 -6.91 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.637 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.4 ' OXT' ' O ' ' A' ' 92' ' ' ASN . 4.8 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.523 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.596 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -68.95 156.62 38.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.602 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -52.37 -29.29 23.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.83 -48.72 68.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.493 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.95 -32.9 74.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.683 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 77.5 p -69.37 -34.61 74.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.817 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.83 -41.92 71.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.649 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 58.7 mmm -70.58 -34.66 72.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.488 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -56.55 -35.4 68.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.575 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 23.6 m -60.27 -42.38 95.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -58.96 -31.51 68.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.615 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.435 HG23 HD12 ' B' ' 12' ' ' ILE . 12.4 mm -70.36 -40.27 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.808 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -60.1 -55.53 32.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.941 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.6 -39.22 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.685 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.479 ' O ' ' OG ' ' B' ' 19' ' ' SER . 72.0 t80 -59.49 -42.83 93.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.548 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -80.47 -17.58 51.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.768 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.47 -42.08 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -86.68 -9.83 55.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.956 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 74.6 m -77.66 4.11 12.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.503 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.98 -8.51 59.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -64.71 -72.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.856 0.36 . . . . 0.0 110.4 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -117.25 -13.75 10.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.02 153.67 34.46 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -86.71 -32.3 20.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 110.54 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.451 ' C ' ' H ' ' B' ' 27' ' ' LYS . 0.2 OUTLIER -169.6 -91.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.35 28.08 0.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.299 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' B' ' 25' ' ' LYS . 45.2 mtmt -121.89 141.97 50.73 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -139.42 123.53 17.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.301 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -75.22 143.4 43.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.256 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -68.74 -29.78 68.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.444 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -56.62 -44.91 81.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.914 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.29 -28.34 38.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.906 0.384 . . . . 0.0 110.657 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.462 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.5 tm? -53.5 -52.54 59.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.792 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -51.27 -36.92 44.47 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.763 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.471 ' O ' ' OG1' ' B' ' 39' ' ' THR . 95.7 mt-10 -79.27 -27.29 42.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.822 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.57 -56.3 11.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.84 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.54 -49.06 62.74 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.373 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.435 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 11.9 pt20 -67.61 -25.63 65.85 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.006 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 43.0 m -72.82 -39.65 66.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.217 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -93.02 -26.57 17.45 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.214 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.77 45.8 2.07 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.439 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -68.38 -30.91 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.001 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.79 -52.88 7.69 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -44.89 -67.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.627 0.251 . . . . 0.0 110.89 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 pp -54.28 -12.82 0.72 Allowed 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.823 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -99.69 -17.11 17.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.728 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.13 -2.96 30.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.712 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.578 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 5.1 pp0? -105.41 146.83 28.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.627 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -115.59 9.79 15.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.478 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.578 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 94.5 m-20 -79.24 106.0 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.639 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -76.08 -38.64 35.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -69.01 -38.92 79.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.9 -51.44 66.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.799 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.08 -34.23 62.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.664 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.49 -46.76 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.609 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -60.83 -38.11 84.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.627 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.5 t -76.78 -30.56 18.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.634 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.53 -51.4 23.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -63.93 -31.56 72.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -54.04 -31.98 53.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.56 -39.83 92.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.648 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.2 -27.68 60.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.771 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -73.12 -41.09 64.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.468 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.41 ' C ' ' H ' ' B' ' 66' ' ' ASP . 34.8 m-80 -101.02 32.72 3.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.481 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.5 16.48 7.8 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' B' ' 64' ' ' ASN . 98.6 m-20 -48.71 -44.91 38.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 110.512 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.44 -16.86 3.35 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -141.16 133.22 27.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 0.0 110.526 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.416 ' CG1' ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -94.14 -154.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.199 -179.54 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.416 ' H ' ' CG1' ' B' ' 69' ' ' VAL . 12.8 m-20 -150.06 141.43 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.028 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -48.6 -49.65 35.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.352 . . . . 0.0 110.766 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.13 -33.4 72.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -74.18 -30.93 62.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -70.73 -42.23 70.82 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.966 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.8 m -75.03 -27.93 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.44 -40.33 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -76.99 -34.97 57.49 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.883 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 29.4 m -62.03 -41.69 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.348 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.89 -39.88 83.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.5 -32.68 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.635 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.2 mt -75.36 -29.94 60.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.562 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.9 m -69.57 -55.22 10.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.887 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.0 p -60.06 -27.1 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.929 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.85 -22.49 65.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.792 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.5 t -93.73 -56.17 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.756 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -47.27 -33.88 6.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.475 ' O ' ' O ' ' B' ' 90' ' ' TRP . 7.8 t30 -52.66 -28.14 20.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.787 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -51.56 -48.07 63.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.634 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -58.24 -36.26 72.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.622 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.475 ' O ' ' O ' ' B' ' 87' ' ' ASN . 65.4 m95 -95.39 162.06 13.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.581 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -128.4 148.51 50.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.434 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.401 ' O ' ' OXT' ' B' ' 93' ' ' SER . 44.8 t30 -146.31 -6.98 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.401 ' OXT' ' O ' ' B' ' 92' ' ' ASN . 4.8 t . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.523 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.752 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -61.64 155.43 22.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.582 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -60.72 -40.36 92.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.631 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 2.7 tm? -65.78 -48.39 71.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.213 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.92 -33.54 73.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.489 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.3 m -68.88 -35.12 76.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.57 77.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.528 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.5 mmm -64.8 -38.77 92.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.495 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 7.6 tt0 -55.02 -35.52 64.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.695 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.5 m -59.79 -44.59 93.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.753 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -55.92 -31.6 63.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.447 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -70.57 -40.05 76.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.69 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 8.7 m-80 -63.91 -55.68 20.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.746 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 9.0 p -62.33 -39.68 85.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.488 ' O ' ' OG ' ' A' ' 19' ' ' SER . 92.8 t80 -60.52 -45.16 94.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.569 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -80.08 -19.18 48.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.783 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.59 -37.45 79.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -91.72 -17.53 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.717 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 47.1 m -63.96 -24.84 67.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.81 -8.02 32.08 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -68.77 -106.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.452 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -87.0 -33.68 19.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.541 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.88 150.41 51.52 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.53 -62.8 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 110.573 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -145.34 -76.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.66 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -83.66 -5.08 59.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.227 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -92.81 147.48 22.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.373 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 tp -146.42 114.92 6.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.92 0.39 . . . . 0.0 110.588 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.51 150.02 23.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.792 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' NZ ' ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -68.85 -30.25 68.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.976 0.417 . . . . 0.0 110.41 179.333 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.77 -43.21 80.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.513 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -80.15 -28.34 38.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.307 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 1.9 tm? -62.17 -56.14 21.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.569 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -52.11 -38.86 58.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.916 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.491 ' O ' ' OG1' ' A' ' 39' ' ' THR . 30.7 mt-10 -78.92 -27.21 43.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.21 -56.28 12.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.639 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -52.47 -50.03 63.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.513 -178.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.452 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 13.5 pt20 -66.04 -25.55 67.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.032 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 55.1 m -73.85 -38.31 64.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.082 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -93.45 -26.88 17.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.288 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.12 45.08 2.06 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.736 0.303 . . . . 0.0 110.41 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -68.25 -27.59 66.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.19 -52.31 4.93 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' C ' ' H ' ' A' ' 46' ' ' ASP . 12.6 m-85 -45.89 -64.58 0.71 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.574 0.226 . . . . 0.0 110.917 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.83 -9.53 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.048 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 44' ' ' PHE . 16.4 t70 -105.69 -16.18 14.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.701 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.25 -2.94 21.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.768 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.51 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.9 pp0? -99.53 134.48 42.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.768 0.318 . . . . 0.0 110.735 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -98.42 -3.34 37.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.475 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.51 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 83.3 m-20 -71.63 104.3 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.66 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -80.41 -28.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.423 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -72.78 -39.48 66.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.727 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.12 -51.38 69.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.606 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.11 -31.86 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.716 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -62.42 -40.77 97.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.698 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -72.38 -37.38 68.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.081 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.7 t -77.28 -48.15 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.209 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.657 ' SD ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -60.24 -44.09 95.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.935 -179.271 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.657 ' N ' ' SD ' ' A' ' 58' ' ' MET . 23.5 pttt -68.74 -33.29 73.67 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.513 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -52.85 -28.62 23.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.402 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.3 mt -67.72 -38.63 83.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.628 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.65 -31.93 70.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -80.06 -37.4 33.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.599 ' C ' ' H ' ' A' ' 66' ' ' ASP . 1.4 m120 -87.49 24.19 1.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.674 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . -58.74 4.54 0.09 OUTLIER Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.599 ' H ' ' C ' ' A' ' 64' ' ' ASN . 50.4 m-20 -34.9 -35.33 0.04 OUTLIER 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.881 0.372 . . . . 0.0 110.519 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 121.15 -4.57 11.28 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -173.6 135.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.158 0.504 . . . . 0.0 111.437 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.421 ' CG1' ' NZ ' ' A' ' 30' ' ' LYS . 10.7 m -91.51 -172.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.565 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -126.61 154.34 44.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -49.11 -53.2 21.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.622 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -56.18 -33.55 65.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -76.16 -30.81 58.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -69.02 -40.52 78.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.5 m -75.07 -28.67 21.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.076 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.71 -39.68 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.24 -35.13 48.7 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.895 -178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.5 m -61.2 -41.95 91.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.197 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.58 -37.36 73.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.494 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.8 -31.27 26.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.44 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.0 mt -75.62 -36.74 60.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.546 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.1 m -66.0 -55.13 18.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.715 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.49 ' C ' ' H ' ' A' ' 85' ' ' CYS . 12.1 p -54.39 -34.85 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.653 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.12 23.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.549 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.49 ' H ' ' C ' ' A' ' 83' ' ' VAL . 21.8 t -137.03 -65.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.488 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -53.79 -28.47 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -45.48 -28.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -51.54 -36.42 44.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.497 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -60.23 -43.19 96.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -85.89 133.95 33.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.544 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -142.88 -160.3 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.596 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 57.76 42.97 22.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.658 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.548 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.729 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -61.51 155.49 21.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 110.628 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -60.78 -40.42 92.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.665 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.52 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 2.7 tm? -65.77 -48.31 72.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.188 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.97 -33.61 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.469 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 33.0 m -68.74 -35.25 76.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.562 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.44 -46.52 76.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.662 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 56.4 mmm -64.89 -38.66 91.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.523 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 7.6 tt0 -55.06 -35.6 64.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.596 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.2 m -59.77 -44.6 93.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.786 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -55.92 -31.55 62.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.49 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -70.58 -40.01 76.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.684 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 8.8 m-80 -64.01 -55.63 20.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.783 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 9.3 p -62.26 -39.77 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.75 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.468 ' O ' ' OG ' ' B' ' 19' ' ' SER . 92.8 t80 -60.47 -45.09 95.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.658 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -80.05 -19.25 48.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.717 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.55 -37.47 79.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.727 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -91.62 -17.61 25.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.705 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 46.6 m -63.97 -24.77 67.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.594 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.86 -8.11 32.84 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -68.63 -106.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 110.484 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -86.9 -33.77 19.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.483 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.92 150.49 51.57 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -70.6 -62.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.718 0.294 . . . . 0.0 110.562 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -145.31 -76.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.746 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -83.87 -4.98 59.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.372 . . . . 0.0 110.239 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -92.9 147.51 22.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.281 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 tp -146.39 114.97 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.638 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.59 150.06 24.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.422 ' NZ ' ' CG1' ' B' ' 69' ' ' VAL . 0.0 OUTLIER -69.11 -30.13 68.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.157 179.559 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.415 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.86 -43.15 80.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.464 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -80.12 -28.29 38.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.986 0.422 . . . . 0.0 110.31 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.475 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 1.9 tm? -62.37 -55.97 22.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.554 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -52.27 -38.86 59.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.799 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.477 ' O ' ' OG1' ' B' ' 39' ' ' THR . 30.8 mt-10 -78.81 -27.4 44.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.794 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.5 tp -66.29 -56.04 13.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.691 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -52.48 -50.2 63.19 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.403 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.451 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 13.6 pt20 -65.88 -25.64 67.27 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.084 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 55.2 m -73.83 -38.42 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.016 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -93.52 -26.58 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.299 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.28 44.98 2.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.865 0.364 . . . . 0.0 110.51 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -68.28 -27.5 66.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.999 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.19 -52.34 4.91 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.454 ' C ' ' H ' ' B' ' 46' ' ' ASP . 12.6 m-85 -45.9 -64.55 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.65 0.262 . . . . 0.0 110.944 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.89 -9.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.049 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.454 ' H ' ' C ' ' B' ' 44' ' ' PHE . 16.4 t70 -105.84 -16.18 14.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.675 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.29 -2.88 21.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.512 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.9 pp0? -99.63 134.38 42.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.745 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -98.36 -3.2 37.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.473 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.512 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 83.8 m-20 -71.81 104.35 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.581 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 57.1 t -80.45 -27.94 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.57 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -72.81 -39.27 66.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.21 -51.41 69.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.584 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.0 p -66.11 -31.85 55.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.788 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -62.3 -40.85 97.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.722 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -72.53 -37.11 68.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.061 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 91.3 t -77.55 -47.97 25.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.173 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.659 ' SD ' ' N ' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -60.15 -44.2 95.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.004 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.659 ' N ' ' SD ' ' B' ' 58' ' ' MET . 23.6 pttt -68.78 -33.29 73.62 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.493 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -52.86 -28.46 23.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.365 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 65.8 mt -67.94 -38.45 82.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.71 -32.14 70.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.698 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -80.05 -37.4 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.596 ' C ' ' H ' ' B' ' 66' ' ' ASP . 1.4 m120 -87.45 24.17 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.778 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -58.73 4.62 0.09 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.596 ' H ' ' C ' ' B' ' 64' ' ' ASN . 50.6 m-20 -34.91 -35.4 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.892 0.377 . . . . 0.0 110.511 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 121.18 -4.45 11.27 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -173.55 136.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 0.0 111.418 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.422 ' CG1' ' NZ ' ' B' ' 30' ' ' LYS . 10.4 m -92.17 -172.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.52 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -126.53 154.41 43.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.197 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -49.16 -53.1 22.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.963 0.411 . . . . 0.0 110.646 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -56.29 -33.57 65.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.486 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -76.13 -30.79 58.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -68.99 -40.55 78.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 31.7 m -75.16 -28.54 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.097 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.82 -39.74 31.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.06 -35.24 49.79 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.046 -0.662 . . . . 0.0 111.945 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.5 m -61.13 -41.91 91.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.281 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.59 -37.36 73.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.519 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.72 -31.27 25.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 85.4 mt -75.53 -36.91 60.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.559 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.4 m -65.77 -55.28 18.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.76 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.489 ' C ' ' H ' ' B' ' 85' ' ' CYS . 12.4 p -54.29 -34.94 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.12 23.69 0.18 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.489 ' H ' ' C ' ' B' ' 83' ' ' VAL . 22.4 t -137.11 -65.29 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.529 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -53.72 -28.46 34.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -45.48 -28.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.578 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -51.69 -36.43 46.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -60.14 -43.05 96.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -86.13 133.91 33.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.527 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -142.84 -160.29 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.457 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 57.79 42.88 22.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.556 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.718 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -87.35 159.7 18.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.671 0.272 . . . . 0.0 110.628 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -64.19 -29.21 70.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.625 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -48.84 74.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.347 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.62 -31.33 69.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.386 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.1 m -68.96 -35.74 77.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.665 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.21 73.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.527 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.2 mmm -68.07 -40.47 82.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.509 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.89 -34.78 60.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.642 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.6 m -59.18 -43.09 92.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.704 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -61.53 -31.51 71.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.416 HD11 HG22 ' A' ' 12' ' ' ILE . 17.7 mm -69.67 -39.82 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.807 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -60.08 -55.38 34.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.706 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' CG1' ' HH ' ' A' ' 74' ' ' TYR . 7.3 p -63.08 -41.57 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.812 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -55.79 -41.74 74.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.569 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -82.16 -22.18 36.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.566 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.04 -35.73 78.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.729 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.6 m-70 -91.98 -7.37 49.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.576 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -76.92 -4.1 42.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.485 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.33 -9.79 66.66 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -68.2 -70.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.734 0.302 . . . . 0.0 110.51 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -115.95 -15.61 11.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.459 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.69 -153.85 19.77 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -138.21 -63.06 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.511 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.515 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 13.0 ptmt -154.8 33.63 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.615 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER 171.53 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.099 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HZ2' ' CB ' ' A' ' 27' ' ' LYS . 8.9 mtmp? -63.98 147.16 52.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.495 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.0 tp -147.08 129.84 16.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.502 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.6 m -74.26 148.9 41.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.051 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -69.04 -39.32 79.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.582 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.83 -38.8 73.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.582 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -80.17 -43.35 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.908 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.28 -33.51 74.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.772 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -51.89 -45.41 64.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.399 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.49 ' O ' ' OG1' ' A' ' 39' ' ' THR . 50.1 mt-10 -79.3 -27.39 42.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.378 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.3 tp -58.06 -55.64 32.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.937 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 38' ' ' GLN . 2.9 pp -50.59 -47.79 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.433 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.405 ' H ' ' HG ' ' A' ' 37' ' ' LEU . 17.2 pt20 -75.46 -25.68 57.63 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.189 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 44.4 m -64.82 -46.94 79.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.283 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -84.53 -26.9 27.73 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.428 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.23 43.95 2.07 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.792 0.33 . . . . 0.0 110.577 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.2 p -68.46 -27.23 65.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.22 -50.71 9.74 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.446 ' C ' ' H ' ' A' ' 46' ' ' ASP . 13.2 m-85 -46.35 -65.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.631 0.253 . . . . 0.0 110.874 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.21 -8.51 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.78 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.446 ' H ' ' C ' ' A' ' 44' ' ' PHE . 21.9 t0 -105.65 -14.36 15.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.67 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.31 -2.99 21.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.735 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.474 ' OE1' ' O ' ' A' ' 50' ' ' ASP . 5.3 pp0? -102.85 138.73 39.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.893 0.378 . . . . 0.0 110.658 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -95.84 -4.14 44.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.598 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.474 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 72.3 m-20 -75.46 92.71 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.585 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.435 ' O ' ' CG ' ' A' ' 55' ' ' ASP . 76.0 t -73.79 -32.59 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.662 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -72.56 -36.41 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.75 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.26 -50.09 64.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.7 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.11 -34.73 65.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.404 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 51' ' ' VAL . 56.1 m-20 -57.02 -42.87 81.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.488 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -64.81 -39.29 93.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.539 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.4 t -73.82 -30.67 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.59 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.4 ttt -72.61 -51.49 19.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.386 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.0 -31.5 72.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.495 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.31 -28.64 29.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.258 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.73 -36.95 76.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -68.5 -28.52 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -75.47 -40.79 56.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.53 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -89.3 49.36 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.711 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . -83.31 8.02 65.85 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' GLY . 9.9 t70 -36.49 -35.03 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.887 0.375 . . . . 0.0 110.477 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 120.25 -14.56 10.19 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -151.12 132.36 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.975 0.417 . . . . 0.0 110.556 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -92.52 -154.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -147.28 138.27 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.933 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -48.52 -49.27 36.79 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.596 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -52.68 -35.97 56.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 110.407 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -75.84 -30.69 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.593 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.401 ' HH ' ' CG1' ' A' ' 14' ' ' VAL . 21.1 t80 -64.9 -40.76 95.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.889 0.376 . . . . 0.0 110.794 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.61 -30.09 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.71 -39.1 31.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.17 -34.99 49.3 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.856 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -61.2 -41.69 90.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.474 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.17 -39.11 68.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.74 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.14 -28.98 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.2 mt -75.25 -33.73 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.5 m -69.56 -55.62 9.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.758 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 p -57.93 -26.17 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.579 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.58 7.35 5.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.656 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t -127.38 -53.63 1.37 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.516 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.409 ' C ' ' H ' ' A' ' 88' ' ' PHE . 89.9 m-20 -52.05 -30.95 27.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.584 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.475 ' O ' ' O ' ' A' ' 90' ' ' TRP . 53.3 t30 -55.35 -11.65 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.634 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.409 ' H ' ' C ' ' A' ' 86' ' ' ASN . 93.1 t80 -68.63 -54.58 15.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.775 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -46.56 -43.72 17.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.647 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.475 ' O ' ' O ' ' A' ' 87' ' ' ASN . 58.1 m95 -95.95 140.53 30.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -145.1 115.49 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.665 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -79.21 171.34 15.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.505 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p -87.3 159.78 18.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.654 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -64.29 -29.28 70.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.494 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -48.72 74.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.417 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.74 -31.07 68.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.484 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 57.9 m -69.08 -35.72 76.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.638 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.35 -42.18 73.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 69.7 mmm -68.07 -40.56 82.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.575 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.71 -34.93 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.651 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.4 m -59.07 -43.1 91.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.761 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.7 mm? -61.57 -31.5 71.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.435 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.436 HG22 HD11 ' B' ' 12' ' ' ILE . 18.0 mm -69.69 -39.88 78.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.709 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -60.01 -55.4 34.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.11 -41.63 93.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -55.71 -41.85 74.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -81.99 -22.25 36.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.62 78.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.766 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -91.99 -7.35 49.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.696 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.9 m -76.91 -4.12 42.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.45 -9.66 66.59 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -68.2 -70.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.32 . . . . 0.0 110.462 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -115.87 -15.67 11.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.69 -153.89 19.85 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -138.18 -63.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 0.0 110.555 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.508 ' O ' ' CD2' ' B' ' 26' ' ' TYR . 12.9 ptmt -154.91 33.45 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.683 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' B' ' 25' ' ' LYS . 0.5 OUTLIER 171.64 -48.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.237 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.43 ' CB ' ' HZ2' ' B' ' 27' ' ' LYS . 8.9 mtmp? -64.01 147.08 52.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.47 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.7 tp -146.97 129.66 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.625 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 17.8 m -74.21 148.92 41.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.093 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -69.12 -39.23 79.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.563 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.412 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.98 -38.63 73.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.595 -179.571 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -80.27 -43.33 21.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.22 -33.71 75.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.892 0.377 . . . . 0.0 110.785 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -51.79 -45.46 63.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.404 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.475 ' O ' ' OG1' ' B' ' 39' ' ' THR . 50.1 mt-10 -79.35 -27.24 42.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.326 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 47.3 tp -58.1 -55.91 28.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.781 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.412 ' HG ' ' H ' ' B' ' 38' ' ' GLN . 2.9 pp -50.47 -47.82 56.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.403 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.412 ' H ' ' HG ' ' B' ' 37' ' ' LEU . 17.2 pt20 -75.45 -25.64 57.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.782 0.325 . . . . 0.0 111.177 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 44.7 m -64.92 -46.86 79.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.25 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -84.73 -26.85 27.37 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.348 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.32 44.11 2.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.868 0.366 . . . . 0.0 110.648 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.3 p -68.59 -27.31 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.619 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.23 -50.63 9.89 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.455 ' C ' ' H ' ' B' ' 46' ' ' ASP . 13.1 m-85 -46.4 -65.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.618 0.247 . . . . 0.0 110.74 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.32 -8.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.764 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' B' ' 44' ' ' PHE . 21.9 t0 -105.64 -14.38 15.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.671 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.33 -2.92 21.73 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.679 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.469 ' OE1' ' O ' ' B' ' 50' ' ' ASP . 5.3 pp0? -102.96 138.64 39.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -95.81 -4.07 44.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.659 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.469 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 71.9 m-20 -75.44 92.64 2.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.521 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.444 ' O ' ' CG ' ' B' ' 55' ' ' ASP . 75.3 t -73.96 -32.37 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.627 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -72.71 -36.43 67.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.667 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -50.05 65.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -69.17 -34.7 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.435 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' B' ' 51' ' ' VAL . 56.2 m-20 -56.87 -42.94 80.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.529 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -64.81 -39.28 93.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.4 t -73.87 -30.51 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.689 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.5 ttt -72.56 -51.48 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.409 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -65.07 -31.51 72.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.444 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.36 -28.51 29.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.287 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.9 -36.95 75.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.768 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -68.49 -28.49 67.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.579 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -75.45 -40.77 57.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.575 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -89.33 49.46 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.576 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' B' ' 66' ' ' ASP . . . -83.37 8.0 66.15 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' B' ' 65' ' ' GLY . 9.9 t70 -36.57 -34.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.771 0.32 . . . . 0.0 110.424 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 120.25 -14.43 10.2 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -151.2 132.36 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.968 0.413 . . . . 0.0 110.473 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -93.32 -154.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.837 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -147.28 138.47 23.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.932 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -48.58 -49.24 37.5 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.563 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -52.83 -35.89 57.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 110.351 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -75.88 -30.76 58.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.629 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -64.8 -40.78 95.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.816 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.6 -30.08 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.71 -39.05 31.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.17 -34.92 49.38 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.039 -0.664 . . . . 0.0 111.922 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.24 -41.77 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.349 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.09 -39.13 69.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.753 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.23 -28.91 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.505 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.3 mt -75.31 -33.5 61.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.71 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.1 m -69.68 -55.62 9.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 p -57.92 -26.16 27.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.612 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.49 7.19 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.633 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t -127.31 -53.69 1.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.522 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -52.17 -30.88 28.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' B' ' 90' ' ' TRP . 53.1 t30 -55.41 -11.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.756 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -68.74 -54.49 15.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.702 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -46.8 -43.52 18.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.546 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.482 ' O ' ' O ' ' B' ' 87' ' ' ASN . 58.0 m95 -96.05 140.39 30.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -145.12 115.52 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.465 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -79.16 171.39 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.518 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.503 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -72.81 156.69 38.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.568 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.415 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 56.7 mp0 -57.6 -39.37 76.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.528 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.48 -48.46 81.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.238 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.92 -32.23 73.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.232 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.2 m -69.42 -34.94 75.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.703 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.34 -46.57 76.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.546 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.2 mmm -67.1 -36.83 82.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.441 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -56.54 -34.03 66.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.627 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.0 m -60.79 -43.23 98.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.684 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -58.88 -31.39 68.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.474 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.8 mm -70.24 -41.94 78.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.803 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -59.87 -55.45 34.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.04 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.5 p -62.1 -39.95 85.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.671 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.476 ' O ' ' OG ' ' A' ' 19' ' ' SER . 72.3 t80 -57.41 -42.14 81.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.58 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -79.1 -18.29 53.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.657 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.7 71.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -89.66 -10.4 45.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.781 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 50.6 m -76.12 -2.21 29.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.541 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.56 3.88 68.89 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -75.52 -81.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.61 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 23' ' ' GLY . 18.0 mt-10 -102.67 -51.62 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.52 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.49 ' O ' ' OD1' ' A' ' 24' ' ' ASP . . . -57.47 -129.57 0.01 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 23' ' ' GLY . 77.7 m-20 -150.8 -99.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.559 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -97.16 -74.12 0.58 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.632 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -93.42 24.91 3.67 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.404 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HB2' ' H ' ' A' ' 24' ' ' ASP . 42.8 mtmt -118.74 127.94 54.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.448 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' N ' ' OE2' ' A' ' 68' ' ' GLU . 36.1 tp -136.37 123.01 21.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -75.24 147.01 40.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.949 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.545 ' NZ ' ' OD1' ' A' ' 64' ' ' ASN . 39.3 tptt -67.93 -29.91 69.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.379 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -56.78 -44.94 82.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.907 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -80.43 -28.58 37.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.815 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 3.0 tm? -55.14 -49.67 71.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.596 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -51.21 -35.4 36.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.647 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' A' ' 39' ' ' THR . 70.2 mm-40 -79.36 -27.56 41.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 tp -65.33 -56.36 13.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.565 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.422 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -51.11 -49.44 60.75 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.19 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.422 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 7.2 pt20 -69.07 -25.65 64.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.961 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 21.4 m -71.31 -45.13 63.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.212 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -88.44 -27.21 21.68 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.386 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.98 47.27 1.85 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.252 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.444 ' HG ' ' N ' ' A' ' 43' ' ' GLY . 1.2 p -67.74 -39.43 84.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.593 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.444 ' N ' ' HG ' ' A' ' 42' ' ' SER . . . -85.67 -33.04 17.1 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -54.59 30.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.707 0.289 . . . . 0.0 110.24 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.17 -8.87 49.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 33.1 t0 -94.43 -13.68 25.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.9 -1.62 48.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.781 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.583 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -104.74 136.25 44.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.646 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -95.01 -6.1 43.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.589 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.583 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 69.7 m-20 -70.02 106.22 3.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.572 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 82.2 t -78.51 -30.26 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -72.39 -36.61 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.683 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -51.42 69.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.69 -34.23 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -56.67 -43.71 80.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.472 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.92 -37.52 87.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -76.6 -30.55 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.582 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.2 ttt -74.69 -49.99 19.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.318 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -63.97 -31.76 73.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.25 -35.75 60.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.577 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.21 -38.63 87.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.489 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -72.41 -28.49 63.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.613 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.5 -38.4 71.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.19 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.587 ' C ' ' H ' ' A' ' 66' ' ' ASP . 1.1 m-80 -65.51 -96.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.391 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . 70.08 -24.82 0.43 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.587 ' H ' ' C ' ' A' ' 64' ' ' ASN . 54.5 t0 -37.56 -32.49 0.05 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.972 0.415 . . . . 0.0 110.161 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 101.24 -9.91 57.93 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.491 ' OE2' ' N ' ' A' ' 28' ' ' LEU . 30.3 tp10 -143.06 132.51 23.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.172 0.511 . . . . 0.0 110.46 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -92.59 -154.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.211 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -152.08 140.03 20.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.97 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -48.68 -52.93 20.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.951 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -58.37 -33.75 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.798 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -75.59 -30.89 59.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -69.02 -42.96 75.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.867 0.365 . . . . 0.0 110.92 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.01 -27.67 27.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -75.56 -37.44 37.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.248 -178.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.2 -42.35 46.5 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.939 -0.704 . . . . 0.0 111.546 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.1 m -59.36 -35.61 59.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.307 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.77 -40.65 69.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.557 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.84 -28.26 22.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.618 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.4 mt -72.52 -34.1 67.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.584 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.6 m -70.42 -54.16 13.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.5 -24.83 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.614 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.51 11.12 4.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.787 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.4 t -134.57 -49.92 0.78 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.649 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -52.18 -32.76 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.61 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.487 ' O ' ' O ' ' A' ' 90' ' ' TRP . 7.8 t-20 -63.24 -12.04 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.461 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -58.29 -40.58 82.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.683 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -70.22 -49.55 49.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.676 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.487 ' O ' ' O ' ' A' ' 87' ' ' ASN . 86.0 m95 -82.73 133.93 35.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.709 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 90' ' ' TRP . 94.6 mt-10 36.81 86.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.57 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -74.93 94.27 2.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.677 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.2 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.908 -1.044 . . . . 0.0 110.525 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -72.85 156.65 38.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 110.56 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 56.7 mp0 -57.55 -39.48 76.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -48.6 81.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.242 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.04 -32.19 73.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.054 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.1 m -69.39 -34.97 75.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.715 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.47 -46.54 76.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.481 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 58.2 mmm -67.13 -36.65 82.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.473 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.401 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 6.1 tt0 -56.71 -33.96 66.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.542 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 22.7 m -60.78 -43.18 98.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.77 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -58.98 -31.34 68.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.49 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.0 mm -70.31 -41.92 78.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.713 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 53.3 m-80 -59.8 -55.63 31.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.871 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 12.3 p -62.06 -39.72 84.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.482 ' O ' ' OG ' ' B' ' 19' ' ' SER . 72.8 t80 -57.7 -42.06 82.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.449 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -79.11 -18.27 53.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.631 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.65 71.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -89.66 -10.44 45.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.482 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 49.8 m -76.17 -2.16 29.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.397 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.47 3.95 69.26 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -75.61 -81.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 110.617 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' B' ' 23' ' ' GLY . 18.2 mt-10 -102.72 -51.58 3.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.481 ' O ' ' OD1' ' B' ' 24' ' ' ASP . . . -57.46 -129.33 0.01 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.481 ' OD1' ' O ' ' B' ' 23' ' ' GLY . 77.6 m-20 -150.97 -99.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.778 0.323 . . . . 0.0 110.549 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -97.08 -74.21 0.58 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.637 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -93.34 24.79 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.334 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.407 ' HB2' ' H ' ' B' ' 24' ' ' ASP . 42.8 mtmt -118.72 127.92 54.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.434 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.489 ' N ' ' OE2' ' B' ' 68' ' ' GLU . 36.1 tp -136.32 123.1 21.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.349 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.0 p -75.44 146.99 40.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.016 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.552 ' NZ ' ' OD1' ' B' ' 64' ' ' ASN . 39.2 tptt -67.88 -30.01 69.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.34 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -56.62 -45.06 81.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.919 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -80.49 -28.59 37.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.472 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 3.0 tm? -54.99 -49.81 70.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.579 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -51.0 -35.53 34.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.688 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.477 ' O ' ' OG1' ' B' ' 39' ' ' THR . 70.1 mm-40 -79.44 -27.5 41.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 19.9 tp -65.24 -56.4 12.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.644 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.34 -49.28 61.72 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.181 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.429 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 7.2 pt20 -69.0 -25.65 64.62 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.987 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 21.3 m -71.31 -45.07 63.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.252 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -88.58 -27.18 21.54 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.257 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.93 47.25 1.85 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.83 0.347 . . . . 0.0 110.203 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.441 ' HG ' ' N ' ' B' ' 43' ' ' GLY . 1.2 p -67.76 -39.36 84.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.631 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.441 ' N ' ' HG ' ' B' ' 42' ' ' SER . . . -85.82 -32.96 16.82 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -54.49 32.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.253 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.44 -8.56 47.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.777 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 33.8 t0 -94.7 -13.71 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.588 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.01 -1.57 48.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.727 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.584 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 0.9 OUTLIER -104.65 136.18 44.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.86 0.362 . . . . 0.0 110.736 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -94.91 -6.11 43.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.584 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 69.6 m-20 -70.01 106.23 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.637 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 81.8 t -78.52 -30.24 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.493 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -72.38 -36.72 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.645 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.5 69.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.72 -34.25 68.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -56.66 -43.73 80.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.465 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.9 -37.55 87.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 62.1 t -76.49 -30.62 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.585 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.2 ttt -74.66 -49.96 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.354 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -63.96 -31.66 72.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.572 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.37 -35.71 60.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.58 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.27 -38.6 87.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.516 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -72.3 -28.69 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.583 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -71.47 -38.35 71.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.25 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.592 ' C ' ' H ' ' B' ' 66' ' ' ASP . 1.1 m-80 -65.4 -96.65 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.419 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . 70.11 -24.83 0.43 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.592 ' H ' ' C ' ' B' ' 64' ' ' ASN . 54.5 t0 -37.56 -32.47 0.05 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.906 0.384 . . . . 0.0 110.102 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 101.27 -10.69 58.24 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' B' ' 28' ' ' LEU . 30.0 tp10 -141.75 132.89 26.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.944 0.402 . . . . 0.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -93.9 -154.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.001 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -151.96 140.2 20.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.918 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -48.6 -53.0 20.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.96 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -58.4 -33.73 69.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -75.58 -30.91 59.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.011 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -69.18 -42.66 75.56 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.961 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -72.17 -27.64 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -75.5 -37.38 37.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 120.411 -0.515 . . . . 0.0 112.354 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.24 -42.33 46.2 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.554 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 19.0 m -59.37 -35.5 58.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.368 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.92 -40.59 68.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.91 -28.16 22.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.601 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.1 mt -72.52 -34.14 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.598 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.6 m -70.51 -54.12 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.792 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.56 -24.78 34.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.57 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.58 11.12 4.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.3 t -134.49 -49.86 0.78 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.603 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -52.38 -32.61 39.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.579 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.494 ' O ' ' O ' ' B' ' 90' ' ' TRP . 7.7 t-20 -63.18 -12.13 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.587 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -58.19 -40.75 82.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.551 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -70.18 -49.58 48.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.718 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.494 ' O ' ' O ' ' B' ' 87' ' ' ASN . 85.9 m95 -82.7 133.91 35.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.741 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' B' ' 90' ' ' TRP . 94.9 mt-10 36.75 86.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.513 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -74.86 94.33 2.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.53 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 74.7 p . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.597 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.404 ' HG ' ' N ' ' A' ' 3' ' ' GLU . 46.6 t -72.58 149.32 44.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.686 0.279 . . . . 0.0 110.613 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.488 ' O ' ' OG1' ' A' ' 6' ' ' THR . 85.1 tt0 -56.25 -34.79 66.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.585 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 2.7 tm? -68.56 -47.58 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.222 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -61.92 -32.89 73.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 17.6 p -69.02 -36.91 78.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.654 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.43 72.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.421 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.0 mmm -69.27 -38.44 78.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.518 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.7 -35.1 60.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.7 m -60.36 -43.79 96.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.72 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -56.28 -31.21 63.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.583 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.427 HD13 HG21 ' A' ' 12' ' ' ILE . 10.2 mm -71.28 -44.5 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -60.29 -55.66 31.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.781 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -62.36 -41.1 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.441 ' O ' ' OG ' ' A' ' 19' ' ' SER . 81.2 t80 -59.76 -42.19 92.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.592 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' SER . 3.7 t-80 -73.23 -47.36 43.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.5 -38.71 6.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.807 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -88.21 -11.92 45.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.738 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' HIS . 38.3 m -73.85 0.66 12.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.452 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.82 -13.05 83.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.58 ' O ' ' N ' ' A' ' 23' ' ' GLY . 26.1 mmtp -84.0 109.77 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.646 0.26 . . . . 0.0 110.512 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 23' ' ' GLY . 67.6 mm-40 59.93 -70.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.65 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 21' ' ' LYS . . . -35.52 158.08 0.01 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -82.99 -67.63 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.656 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -141.51 -63.68 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -91.62 5.89 47.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -103.37 136.35 43.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.527 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -140.16 120.95 14.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.182 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -57.46 144.9 34.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.298 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.519 ' HZ1' ' CD2' ' A' ' 61' ' ' LEU . 48.9 tptt -65.76 -35.94 82.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.125 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -57.28 -42.39 81.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.837 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -80.24 -28.68 38.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.502 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 3.1 tm? -62.92 -55.31 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.638 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -52.03 -34.65 44.09 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.628 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' A' ' 39' ' ' THR . 43.8 mt-10 -79.42 -27.33 41.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.7 tp -65.22 -55.38 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.752 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -50.72 -50.1 56.07 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.169 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.458 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 12.8 pt20 -65.86 -25.66 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 110.793 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 96.8 m -75.26 -38.1 60.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.175 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -93.69 -27.32 16.61 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.508 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -115.72 43.99 1.98 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 110.456 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.0 p -68.0 -27.25 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.754 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.48 -50.93 6.91 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.444 ' C ' ' H ' ' A' ' 46' ' ' ASP . 15.3 m-85 -48.77 -64.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.676 0.274 . . . . 0.0 110.813 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.46 -9.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.795 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' A' ' 44' ' ' PHE . 56.1 t0 -105.47 -16.76 14.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.643 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.93 -2.84 28.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.609 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.562 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.8 pp0? -105.16 143.81 32.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.689 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -109.45 2.6 20.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.492 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.562 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 88.4 m-20 -73.33 106.07 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.744 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.4 t -73.47 -34.45 42.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.71 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -70.23 -37.2 74.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.48 -51.4 70.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.787 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.12 -33.04 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.608 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.1 -42.72 95.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.605 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -62.89 -38.22 90.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.685 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -77.21 -30.39 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.588 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.1 ttt -68.68 -50.94 47.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.241 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -66.37 -31.73 72.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.58 -31.3 46.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.602 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.519 ' CD2' ' HZ1' ' A' ' 30' ' ' LYS . 17.3 mt -64.47 -35.99 82.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -74.73 -27.81 60.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.76 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.14 -40.78 86.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.133 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -100.4 104.95 16.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.372 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -123.57 -4.54 8.12 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -41.84 -20.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.95 0.405 . . . . 0.0 110.372 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 99.65 -9.89 60.65 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -150.91 132.85 15.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.379 . . . . 0.0 110.635 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -92.41 -154.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.133 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -142.96 148.24 36.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.216 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -50.5 -47.38 57.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -54.85 -33.51 61.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -75.49 -30.58 59.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -69.39 -38.0 77.79 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.24 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -75.58 -28.64 19.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.57 -40.36 33.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.58 -35.85 45.26 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.303 -0.559 . . . . 0.0 112.254 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.5 m -58.1 -40.17 75.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.498 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.89 -40.57 63.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.674 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.79 -29.06 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.677 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.2 mt -75.53 -35.87 60.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.691 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.8 m -66.25 -55.61 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.898 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -51.84 -25.52 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.26 28.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 t -146.81 -51.75 0.21 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.516 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -51.74 -31.82 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -44.43 -26.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.534 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -44.55 -45.08 9.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.517 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -61.44 -48.53 80.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.435 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -97.54 95.37 7.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.49 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -85.58 159.7 19.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.592 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.3 m-20 -63.69 168.98 4.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.632 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.1 -0.952 . . . . 0.0 110.561 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.739 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.412 ' HG ' ' N ' ' B' ' 3' ' ' GLU . 46.7 t -72.58 149.36 44.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' B' ' 6' ' ' THR . 85.1 tt0 -56.15 -34.9 66.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.521 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 2.7 tm? -68.5 -47.44 67.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -61.94 -33.0 73.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.515 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 17.8 p -69.01 -36.76 78.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.7 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.59 -41.33 73.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 49.0 mmm -69.36 -38.48 78.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.477 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.69 -35.0 60.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.557 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.9 m -60.4 -43.81 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.7 mm? -56.24 -31.42 63.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.485 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 10.0 mm -71.12 -44.53 74.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -60.32 -55.65 31.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 p -62.19 -41.38 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.574 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.449 ' O ' ' OG ' ' B' ' 19' ' ' SER . 81.1 t80 -59.63 -42.13 92.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' B' ' 19' ' ' SER . 3.8 t-80 -73.34 -47.35 43.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.45 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.57 -38.69 6.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.779 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -88.14 -11.86 45.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.705 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 38.5 m -73.9 0.66 12.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.489 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.88 -13.04 83.83 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.573 ' O ' ' N ' ' B' ' 23' ' ' GLY . 26.1 mmtp -83.89 109.71 17.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.481 ' O ' ' O ' ' B' ' 23' ' ' GLY . 67.8 mm-40 59.95 -70.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.623 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' B' ' 21' ' ' LYS . . . -35.54 158.14 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -83.02 -67.55 0.78 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.748 0.309 . . . . 0.0 110.752 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -141.51 -63.52 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.482 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -91.75 5.82 48.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.468 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -103.17 136.47 42.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.553 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -140.23 120.73 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.276 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -57.2 144.94 33.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.307 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.516 ' HZ1' ' CD2' ' B' ' 61' ' ' LEU . 48.9 tptt -65.84 -36.03 82.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.054 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -57.35 -42.24 81.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.869 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -80.36 -28.53 38.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.038 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 3.1 tm? -63.02 -55.15 28.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.686 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -52.13 -34.75 45.84 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.565 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' B' ' 39' ' ' THR . 43.8 mt-10 -79.25 -27.4 42.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.0 tp -65.1 -55.39 19.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.839 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -50.84 -50.03 57.52 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.147 -178.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.453 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 12.8 pt20 -65.88 -25.58 67.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.819 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 96.8 m -75.3 -38.06 60.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.235 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -93.87 -27.22 16.54 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.425 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -115.81 44.0 1.99 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.741 0.305 . . . . 0.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.1 p -67.97 -27.3 66.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.807 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.5 -50.89 6.94 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.449 ' C ' ' H ' ' B' ' 46' ' ' ASP . 15.6 m-85 -48.82 -64.69 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.756 -0.261 . . . . 0.0 110.931 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.6 -9.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.766 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.449 ' H ' ' C ' ' B' ' 44' ' ' PHE . 56.1 t0 -105.51 -16.71 14.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.604 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.9 -2.78 29.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.707 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.566 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.8 pp0? -105.27 143.81 32.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.621 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -109.41 2.54 20.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.497 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.566 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 88.4 m-20 -73.27 106.04 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.689 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 94.9 t -73.44 -34.48 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.751 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -70.28 -37.25 74.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.713 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.39 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.722 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.08 -33.11 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.08 -42.73 95.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.575 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -62.96 -38.23 90.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -77.14 -30.57 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.2 ttt -68.58 -50.98 47.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.259 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -66.39 -31.53 72.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.476 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.57 -31.58 47.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.489 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.516 ' CD2' ' HZ1' ' B' ' 30' ' ' LYS . 17.1 mt -64.33 -35.99 82.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.481 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.8 -27.72 60.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.738 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.21 -40.73 86.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.216 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -100.42 105.0 16.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.353 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -123.54 -4.61 8.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -41.65 -20.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.995 0.426 . . . . 0.0 110.385 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 99.59 -9.63 60.64 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -150.97 133.15 15.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.93 0.395 . . . . 0.0 110.611 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -93.6 -154.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.806 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -143.0 148.3 36.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.216 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -50.59 -47.25 58.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.854 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -54.96 -33.5 62.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.777 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -75.58 -30.58 59.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.157 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -69.27 -38.02 78.18 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.396 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.56 -28.58 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -40.35 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.62 -35.97 44.8 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.319 -0.552 . . . . 0.0 112.134 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 29.4 m -58.07 -40.16 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.49 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.89 -40.49 63.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.751 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.97 -28.88 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.606 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -75.56 -35.8 60.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.784 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.1 m -66.36 -55.56 15.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.772 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -52.03 -25.4 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.571 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.36 28.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.645 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.8 t -146.89 -51.6 0.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -51.67 -31.94 27.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.515 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -44.46 -26.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.589 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -44.46 -45.1 8.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.648 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -61.49 -48.43 81.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.521 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -97.56 95.37 7.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.461 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -85.64 159.67 19.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -63.62 168.99 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.537 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.219 -0.546 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.54 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.749 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.434 ' O ' ' OG1' ' A' ' 6' ' ' THR . 48.4 m -65.83 152.52 44.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 110.597 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -70.49 -32.0 69.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.636 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -48.69 79.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.08 -31.23 67.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.38 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 2' ' ' SER . 28.9 m -68.97 -35.25 76.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.61 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.16 76.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.623 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.5 mmm -68.83 -33.36 73.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -58.16 -35.64 71.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.705 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.6 m -59.8 -38.24 81.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.6 mm? -64.78 -31.29 72.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.632 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.406 HD11 HG22 ' A' ' 12' ' ' ILE . 11.0 mm -71.01 -42.22 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.782 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -59.96 -55.44 33.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.85 -41.82 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.713 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -59.47 -42.21 91.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.554 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -77.0 -24.73 52.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.606 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.04 96.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.479 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -86.65 -12.93 47.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.366 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.5 m -65.8 -27.48 68.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.444 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.06 -10.66 78.29 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -61.86 -73.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.629 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -121.03 -35.97 3.22 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.84 171.63 4.51 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 26' ' ' TYR . 81.2 m-20 -90.8 67.63 6.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.601 0.238 . . . . 0.0 110.625 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mttm 68.29 -44.67 0.51 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.039 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.467 ' H ' ' C ' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -100.17 -50.1 4.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.704 0.288 . . . . 0.0 110.485 -179.698 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HB2' ' H ' ' A' ' 24' ' ' ASP . 39.7 mtmt -61.91 170.51 2.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.8 tp -155.19 126.22 7.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.19 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.7 p -68.69 150.33 48.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.392 . . . . 0.0 111.221 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -65.99 -36.15 82.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.293 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.02 -39.35 74.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.739 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -81.63 -40.01 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.564 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.6 -43.5 93.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.844 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -52.13 -40.46 61.37 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.855 -179.329 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' O ' ' OG1' ' A' ' 39' ' ' THR . 94.4 mt-10 -79.9 -27.25 39.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.173 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.7 tp -63.97 -50.86 66.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.879 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.448 ' HG ' ' H ' ' A' ' 38' ' ' GLN . 3.1 pp -50.63 -44.78 57.38 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.248 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.465 ' O ' ' OG ' ' A' ' 42' ' ' SER . 18.5 pt20 -77.12 -25.46 52.13 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.987 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 99.1 m -66.76 -43.53 83.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.59 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -88.06 -26.82 22.35 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.509 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.61 44.97 1.91 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.732 0.301 . . . . 0.0 110.515 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 1.1 m -68.68 -28.07 66.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.37 -46.38 26.55 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.439 -0.664 . . . . 0.0 111.439 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.412 ' C ' ' H ' ' A' ' 46' ' ' ASP . 10.2 m-85 -53.29 -62.68 1.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.812 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -56.7 -9.09 0.68 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.8 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 44' ' ' PHE . 58.1 m-20 -103.22 -11.34 18.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.525 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.0 -2.5 15.06 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.965 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.7 pp0? -97.84 135.72 39.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.706 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -98.59 -15.28 19.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.503 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.517 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 85.9 m-20 -61.85 105.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.646 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.443 ' O ' ' CG ' ' A' ' 55' ' ' ASP . 78.9 t -78.89 -31.84 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.648 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -72.51 -33.36 66.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.705 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.72 -47.74 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.6 p -72.28 -32.13 41.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.667 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 51' ' ' VAL . 87.5 m-20 -57.48 -49.54 75.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.548 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -64.21 -33.86 76.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.673 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -76.96 -30.57 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.0 ttp -69.69 -51.54 33.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.455 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -64.12 -32.26 73.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.488 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.548 ' OE2' ' ND2' ' A' ' 64' ' ' ASN . 13.7 tm-20 -53.53 -34.86 59.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.7 mt -71.12 -28.95 64.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.95 -49.83 41.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.112 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -65.27 -36.86 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.772 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.548 ' ND2' ' OE2' ' A' ' 60' ' ' GLU . 36.4 m-80 -86.86 37.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.532 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.87 17.59 49.58 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.77 -42.15 34.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.547 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.27 -16.47 4.39 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -146.8 131.57 17.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.334 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -93.31 -154.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.484 0.659 . . . . 0.0 111.383 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -146.56 132.8 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.378 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -47.98 -46.38 32.49 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.392 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -52.35 -37.26 55.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.047 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.66 -30.45 59.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.565 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -63.64 -40.64 97.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.1 m -75.51 -30.57 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -39.43 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.19 -34.37 49.54 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.91 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.2 m -62.78 -40.99 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.239 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.65 -39.91 66.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.25 -28.9 2.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.683 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.3 mt -75.17 -37.47 61.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.646 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.9 m -67.62 -55.37 13.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.772 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.0 p -57.77 -18.13 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.625 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.97 29.96 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.625 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 t -149.38 -50.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -51.77 -34.5 39.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.69 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -47.95 -22.19 0.55 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.7 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -54.91 -47.51 74.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -56.25 -66.66 0.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -77.96 88.66 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.65 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -152.7 129.76 11.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -153.84 112.07 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.626 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.518 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.428 ' O ' ' OG1' ' B' ' 6' ' ' THR . 47.6 m -65.87 152.71 43.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.762 0.315 . . . . 0.0 110.521 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -70.7 -31.92 68.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.532 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -48.5 80.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.33 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.31 -31.13 67.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.303 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' B' ' 2' ' ' SER . 28.3 m -68.97 -35.3 76.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.629 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.13 75.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.65 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 66.6 mmm -68.82 -33.44 73.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.485 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -58.05 -35.77 71.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.745 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.2 m -59.79 -38.02 80.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.998 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.6 mm? -64.85 -31.3 72.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.635 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.405 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 10.8 mm -70.95 -42.26 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.799 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -60.01 -55.44 34.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 8.1 p -62.9 -41.84 94.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.624 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -59.38 -42.19 91.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.616 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -77.02 -24.73 52.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.18 96.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -86.54 -12.97 47.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.451 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.0 m -65.66 -27.64 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.501 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.93 -10.65 77.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -62.0 -73.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.764 0.316 . . . . 0.0 110.627 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -121.09 -35.99 3.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.488 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.73 171.59 4.41 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' B' ' 26' ' ' TYR . 81.3 m-20 -90.91 67.64 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.589 0.233 . . . . 0.0 110.566 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 mttm 68.25 -44.49 0.5 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.963 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.47 ' H ' ' C ' ' B' ' 24' ' ' ASP . 0.7 OUTLIER -100.2 -50.16 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.531 -179.747 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.411 ' HB2' ' H ' ' B' ' 24' ' ' ASP . 39.8 mtmt -61.9 170.61 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.4 tp -155.3 126.1 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.275 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 85.3 p -68.65 150.49 47.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -66.08 -36.1 82.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.263 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.416 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.12 -39.25 74.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.84 -179.767 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -81.55 -40.13 23.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.644 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.47 -43.44 94.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.908 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.439 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 0.2 OUTLIER -52.14 -40.44 61.38 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.908 -179.325 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.487 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.4 mt-10 -79.9 -27.38 39.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.193 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 35.1 tp -63.95 -50.77 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.875 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.438 ' HG ' ' H ' ' B' ' 38' ' ' GLN . 3.1 pp -50.69 -44.78 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.247 -179.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.48 ' O ' ' OG ' ' B' ' 42' ' ' SER . 18.6 pt20 -76.81 -25.73 53.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.794 0.33 . . . . 0.0 111.084 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 98.7 m -66.68 -43.64 83.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.586 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -87.97 -26.87 22.44 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.504 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.62 44.93 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.473 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 1.1 m -68.5 -28.27 66.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.28 -46.47 26.69 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.427 ' C ' ' H ' ' B' ' 46' ' ' ASP . 10.3 m-85 -53.22 -62.67 1.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.666 0.269 . . . . 0.0 110.873 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -56.78 -9.01 0.68 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.747 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' B' ' 44' ' ' PHE . 58.3 m-20 -103.32 -11.3 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.543 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.09 -2.63 14.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.864 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.515 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.7 pp0? -97.81 135.63 39.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.648 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -98.59 -15.26 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.486 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.515 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 86.1 m-20 -61.8 105.16 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . 0.442 ' O ' ' CG ' ' B' ' 55' ' ' ASP . 79.4 t -78.81 -31.86 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.668 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -72.59 -33.32 66.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.66 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.6 -47.8 77.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.7 p -72.24 -32.09 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.696 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' B' ' 51' ' ' VAL . 87.2 m-20 -57.46 -49.52 75.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.559 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -64.2 -33.95 76.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.587 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.5 t -76.94 -30.6 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.708 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.1 ttp -69.69 -51.42 34.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.478 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -64.16 -32.29 73.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.491 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.543 ' OE2' ' ND2' ' B' ' 64' ' ' ASN . 13.7 tm-20 -53.51 -34.85 59.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 25.3 mt -71.17 -28.9 64.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.91 -50.02 39.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.094 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -65.2 -36.82 85.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.837 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.543 ' ND2' ' OE2' ' B' ' 60' ' ' GLU . 36.5 m-80 -86.81 37.87 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.563 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.81 17.6 49.2 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.85 -41.93 34.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.743 0.306 . . . . 0.0 110.51 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.12 -16.33 4.44 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -146.69 131.88 18.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.763 0.316 . . . . 0.0 110.312 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.19 -153.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.174 0.511 . . . . 0.0 111.056 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -146.4 132.97 19.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.43 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.405 ' CZ ' ' CD1' ' B' ' 12' ' ' ILE . 34.8 t80 -47.92 -46.5 32.05 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.5 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -52.3 -37.21 55.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.092 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.76 -30.54 59.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.471 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -63.63 -40.58 97.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 31.0 m -75.54 -30.52 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -39.44 32.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.24 -34.3 49.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.908 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.1 m -62.66 -41.03 90.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.274 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.76 -39.91 66.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.808 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.23 -28.87 2.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.661 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.1 mt -75.19 -37.45 61.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.705 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.2 m -67.68 -55.35 13.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.706 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 9.1 p -57.91 -18.04 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.608 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.95 30.01 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 34.8 t -149.48 -50.43 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -51.89 -34.5 41.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.627 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -47.84 -22.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.723 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -54.99 -47.52 74.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.748 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -56.09 -66.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.751 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -77.94 88.71 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -152.75 129.8 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.474 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -153.94 112.19 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.475 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.538 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -70.25 161.18 30.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.803 0.335 . . . . 0.0 110.509 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' A' ' 6' ' ' THR . 93.1 mt-10 -57.46 -33.81 68.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.645 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.516 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 3.0 tm? -67.95 -48.68 65.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.088 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.76 -37.74 76.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.7 p -64.3 -35.13 79.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.534 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.49 -41.49 73.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.44 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.3 mmm -69.37 -36.87 77.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.396 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -57.21 -33.65 67.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.1 m -60.63 -42.47 96.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.616 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -59.21 -31.5 69.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.534 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.433 HG23 HD13 ' A' ' 12' ' ' ILE . 10.9 mm -70.87 -44.28 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -59.97 -55.58 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.0 p -60.22 -36.74 70.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.615 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.477 ' O ' ' OG ' ' A' ' 19' ' ' SER . 43.0 t80 -60.85 -42.85 98.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -84.64 -18.64 34.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.714 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.93 73.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -93.38 -11.57 31.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.918 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.477 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 54.1 m -73.93 -1.59 20.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.494 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.66 -0.35 87.89 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -72.55 -79.59 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -106.06 -45.38 4.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.94 171.85 9.22 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -91.06 -61.08 1.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.904 0.383 . . . . 0.0 110.619 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' C ' ' H ' ' A' ' 27' ' ' LYS . 74.9 mttt -141.18 -91.95 0.15 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.604 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.68 2.43 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.3 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 25' ' ' LYS . 37.5 mtmt -96.39 134.54 39.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.742 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.9 tp -140.58 120.64 13.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.341 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.22 146.87 40.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.604 ' HZ1' ' CB ' ' A' ' 64' ' ' ASN . 24.4 tptt -68.84 -29.75 68.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.322 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -56.41 -44.55 80.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.98 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -80.49 -28.48 37.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 2.4 tm? -55.28 -53.15 59.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.827 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -51.34 -36.39 42.63 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.651 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' A' ' 39' ' ' THR . 97.7 mt-10 -79.39 -27.16 41.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.783 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 tp -66.83 -56.37 10.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.932 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.439 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.53 -48.94 62.83 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.314 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 11.3 pt20 -66.33 -25.67 66.94 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.868 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 68.1 m -74.12 -37.68 64.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.144 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.59 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 1.5 mp0 -93.38 -26.49 17.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.857 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.45 46.04 2.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 110.466 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -68.31 -33.42 74.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.604 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.71 -39.92 7.95 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.57 -61.75 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 110.372 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.39 -10.62 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.672 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -96.61 -16.6 20.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.587 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.63 -2.83 43.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.639 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.513 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.7 pp0? -105.29 136.07 45.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.54 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -99.92 -0.48 39.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.513 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 62.4 m-20 -75.01 96.36 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.98 -27.35 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.627 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -73.33 -35.11 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.704 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.23 -51.54 63.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -66.97 -35.4 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.558 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -57.58 -44.16 85.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -62.52 -39.24 92.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.684 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -74.83 -30.68 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.679 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 31.6 ttp -72.75 -50.02 27.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.474 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.64 -31.68 72.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -53.01 -32.98 49.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.26 -40.46 90.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.57 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -66.35 -34.94 79.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.502 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -68.58 -38.37 80.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.122 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.604 ' CB ' ' HZ1' ' A' ' 30' ' ' LYS . 61.4 m-80 -101.19 94.04 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.242 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -121.23 -3.93 10.32 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' GLY . 42.2 t0 -37.89 -26.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.901 0.381 . . . . 0.0 110.487 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 101.29 -6.05 55.75 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -142.97 132.18 23.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.064 0.459 . . . . 0.0 110.528 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.425 ' CG1' ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.62 -154.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.341 -179.483 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.425 ' H ' ' CG1' ' A' ' 69' ' ' VAL . 23.7 m-20 -152.74 143.91 23.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.912 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -49.05 -53.16 21.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.752 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -55.88 -33.5 64.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.709 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -75.19 -30.94 60.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.961 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -70.74 -42.04 71.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.845 0.355 . . . . 0.0 111.062 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.8 m -74.87 -27.84 20.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.55 -39.86 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 pp -77.26 -34.76 55.69 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.076 -0.649 . . . . 0.0 111.79 -178.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.6 m -63.21 -44.47 99.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.479 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.52 -34.65 72.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.699 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.52 -26.13 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.504 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.7 mt -75.54 -38.1 59.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.685 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 85' ' ' CYS . 52.9 m -62.05 -55.46 28.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.781 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -47.1 -38.69 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.653 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -24.66 68.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.661 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 82' ' ' THR . 7.9 t -81.57 -60.3 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.637 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.539 ' C ' ' H ' ' A' ' 88' ' ' PHE . 5.5 m120 -48.46 -28.75 3.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.662 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -46.77 -12.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.768 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.539 ' H ' ' C ' ' A' ' 86' ' ' ASN . 37.9 t80 -73.9 -31.77 63.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.418 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -58.35 -5.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.476 ' H ' ' C ' ' A' ' 88' ' ' PHE . 21.4 m95 -79.58 138.19 37.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.474 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -85.12 179.13 7.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.576 HD21 ' H ' ' A' ' 92' ' ' ASN . 0.6 OUTLIER -85.33 121.61 28.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.535 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -70.35 161.17 30.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.887 0.375 . . . . 0.0 110.468 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.483 ' O ' ' OG1' ' B' ' 6' ' ' THR . 92.9 mt-10 -57.33 -33.89 68.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.675 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.516 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 3.0 tm? -67.98 -48.67 65.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.036 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.84 -37.69 77.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 23.7 p -64.4 -34.87 79.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.69 -41.31 73.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.49 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mmm -69.47 -36.83 76.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.404 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -56.93 -33.87 67.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.586 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 24.1 m -60.71 -42.36 97.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.696 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -59.33 -31.35 69.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.424 HG23 HD13 ' B' ' 12' ' ' ILE . 11.1 mm -71.03 -44.18 75.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -60.04 -55.64 31.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.9 p -60.18 -36.73 69.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.48 ' O ' ' OG ' ' B' ' 19' ' ' SER . 43.7 t80 -60.82 -42.93 98.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.666 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -84.55 -18.64 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.736 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.57 -35.99 73.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.799 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -93.29 -11.75 31.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.958 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 54.3 m -73.86 -1.61 20.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.51 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.62 -0.4 87.94 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -72.43 -79.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.656 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -106.13 -45.29 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.13 171.97 9.51 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -91.21 -60.99 1.76 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.82 0.343 . . . . 0.0 110.503 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.436 ' C ' ' H ' ' B' ' 27' ' ' LYS . 74.8 mttt -141.19 -91.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.88 2.53 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.232 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' B' ' 25' ' ' LYS . 37.5 mtmt -96.48 134.5 39.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.706 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 tp -140.47 120.84 14.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.392 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.54 146.86 40.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.013 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.581 ' HZ1' ' CB ' ' B' ' 64' ' ' ASN . 24.4 tptt -68.65 -29.79 68.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.32 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -56.47 -44.81 80.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.745 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -80.3 -28.49 38.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.653 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.472 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.4 tm? -55.1 -53.39 56.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -51.11 -36.51 40.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.638 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' B' ' 39' ' ' THR . 97.6 mt-10 -79.35 -27.18 41.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.725 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.91 -56.45 10.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.805 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.41 -48.98 62.47 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.335 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.442 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 11.3 pt20 -66.41 -25.66 66.86 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.865 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 67.1 m -74.09 -37.7 64.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.134 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.578 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 1.5 mp0 -93.42 -26.48 17.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.859 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.49 46.06 2.07 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 110.336 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -68.39 -33.27 73.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.631 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.74 -40.01 7.89 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.61 -61.7 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.661 0.267 . . . . 0.0 110.443 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -61.32 -10.55 7.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.725 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -96.6 -16.68 20.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.601 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.66 -2.83 43.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.602 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.7 pp0? -105.13 136.05 45.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.69 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -99.95 -0.48 39.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.52 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 62.9 m-20 -75.06 96.34 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.479 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.95 -27.47 37.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.51 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -73.21 -35.23 66.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.677 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.13 -51.48 63.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -67.05 -35.36 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.619 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -57.65 -44.12 85.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.547 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -62.41 -39.46 93.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.624 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.81 -30.58 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.677 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 31.5 ttp -72.92 -49.95 26.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.46 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.59 -31.66 72.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -52.94 -33.1 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.27 -40.43 90.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.482 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.48 -34.77 78.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.449 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -68.63 -38.46 80.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.042 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.581 ' CB ' ' HZ1' ' B' ' 30' ' ' LYS . 61.5 m-80 -101.12 93.95 5.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.342 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -121.12 -3.9 10.43 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' B' ' 65' ' ' GLY . 42.2 t0 -37.93 -26.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.793 0.33 . . . . 0.0 110.433 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 101.31 -6.65 56.02 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -141.75 132.3 25.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 0.0 110.737 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.42 ' CG1' ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -93.7 -155.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.135 -179.456 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.42 ' H ' ' CG1' ' B' ' 69' ' ' VAL . 23.4 m-20 -152.28 144.07 23.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.826 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -49.05 -53.3 20.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.768 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -55.81 -33.46 64.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.735 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -75.34 -30.7 60.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -70.84 -42.05 70.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.731 0.301 . . . . 0.0 110.997 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.3 m -74.84 -27.98 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.974 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -39.93 34.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -77.15 -34.71 56.46 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.823 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 31.0 m -63.24 -44.47 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.507 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.57 -34.53 72.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.762 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.53 -26.17 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.515 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.41 -38.25 59.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.745 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 53.0 m -62.1 -55.29 30.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -47.14 -38.73 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.688 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.8 -24.81 67.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.682 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 7.8 t -81.57 -60.18 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.687 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.546 ' C ' ' H ' ' B' ' 88' ' ' PHE . 5.5 m120 -48.6 -28.84 3.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.422 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -46.77 -12.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.685 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.546 ' H ' ' C ' ' B' ' 86' ' ' ASN . 37.6 t80 -73.83 -31.66 63.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.554 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -58.52 -5.12 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.472 ' H ' ' C ' ' B' ' 88' ' ' PHE . 21.4 m95 -79.61 138.07 37.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.555 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -84.99 179.06 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.505 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.572 HD21 ' H ' ' B' ' 92' ' ' ASN . 0.6 OUTLIER -85.21 121.4 27.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.608 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.552 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t -78.0 146.54 35.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.697 0.284 . . . . 0.0 110.596 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.53 -33.1 73.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.449 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.443 ' CB ' ' OE1' ' B' ' 40' ' ' GLU . 0.2 OUTLIER -63.52 -48.68 76.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.417 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -69.2 -31.53 70.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.37 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.1 m -69.49 -36.14 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.7 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.57 74.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.655 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.8 mmm -67.09 -39.74 86.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.463 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -54.16 -34.51 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.625 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.5 m -59.98 -38.97 84.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.6 mm? -63.97 -31.31 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.639 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.464 HD11 HG23 ' A' ' 12' ' ' ILE . 12.2 mm -71.11 -40.31 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -59.9 -55.19 37.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.787 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.64 -43.47 94.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.455 ' O ' ' OG ' ' A' ' 19' ' ' SER . 66.0 t80 -55.45 -38.75 69.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.527 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -84.62 -17.8 37.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.685 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.09 -37.19 64.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.651 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -90.09 -9.56 47.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.731 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 69.2 m -77.43 6.5 6.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.518 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.91 -6.26 62.09 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -73.34 -74.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.947 0.403 . . . . 0.0 110.524 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -136.53 64.44 1.55 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.407 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ASP . . . -168.76 135.04 3.43 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 23' ' ' GLY . 91.7 m-20 -36.86 -77.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.549 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 26' ' ' TYR . 17.2 pttp -160.58 -41.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.412 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.42 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -100.84 17.96 20.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.04 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -129.64 138.23 51.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.452 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD11 ' H ' ' A' ' 29' ' ' SER . 31.6 tp -134.19 130.54 37.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.243 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.4 ' H ' HD11 ' A' ' 28' ' ' LEU . 32.5 p -69.15 150.79 47.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.33 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' NZ ' ' CD2' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -64.95 -43.88 91.26 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.264 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -33.77 66.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.56 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -80.35 -49.98 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.59 -34.83 69.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.76 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -52.46 -45.18 65.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.489 ' O ' ' OG1' ' A' ' 39' ' ' THR . 74.5 mm-40 -79.37 -27.25 41.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.444 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.25 -54.76 43.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.914 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.414 ' HG ' ' H ' ' A' ' 38' ' ' GLN . 3.0 pp -50.49 -47.77 57.06 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.093 -0.243 . . . . 0.0 111.387 -178.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.414 ' H ' ' HG ' ' A' ' 37' ' ' LEU . 11.0 pt20 -74.66 -25.85 59.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.783 0.325 . . . . 0.0 111.058 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.489 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 58.5 m -68.06 -38.77 82.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.284 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.439 ' OE1' ' CB ' ' B' ' 4' ' ' LEU . 64.7 mm-40 -92.85 -26.53 17.62 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.321 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.56 46.14 1.79 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.717 0.294 . . . . 0.0 110.489 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 t -68.38 -28.77 67.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.16 -53.29 9.3 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' A' ' 46' ' ' ASP . 23.3 m-85 -45.82 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.712 0.291 . . . . 0.0 110.977 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.06 -9.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.851 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 44' ' ' PHE . 16.1 t70 -104.97 -14.8 15.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.649 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.74 -2.88 19.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.68 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.586 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.2 pp0? -103.77 138.98 39.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.557 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -98.53 -16.05 19.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.586 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 40.4 m-20 -61.16 99.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.498 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.1 t -76.75 -34.88 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.683 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -69.54 -34.68 74.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.762 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.58 -51.6 64.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.749 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.3 p -70.71 -31.97 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.63 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -55.14 -48.11 74.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.552 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.41 -34.82 79.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.2 t -75.62 -30.6 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.587 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 29.7 ttp -71.82 -51.49 22.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.474 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.4 pttt -63.12 -31.51 72.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -55.91 -35.06 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.42 ' CD2' ' NZ ' ' A' ' 30' ' ' LYS . 22.6 mt -64.76 -35.97 82.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -74.82 -27.57 60.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.652 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -72.01 -34.39 68.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.428 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -94.02 51.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.53 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.455 ' C ' ' N ' ' A' ' 67' ' ' GLY . . . -81.79 8.73 58.84 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -47.65 -16.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.811 0.339 . . . . 0.0 110.583 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.455 ' N ' ' C ' ' A' ' 65' ' ' GLY . . . 99.67 -12.04 61.16 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -150.46 132.04 14.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.041 0.448 . . . . 0.0 110.412 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -93.13 -154.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.414 0.626 . . . . 0.0 111.302 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -145.25 133.19 21.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.549 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -48.13 -47.55 34.59 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.565 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -51.47 -37.71 50.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.379 . . . . 0.0 110.082 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -75.69 -30.51 59.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.576 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -63.33 -40.21 96.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.51 -30.15 21.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.8 -39.57 31.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.35 -34.45 48.42 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.933 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.1 m -62.26 -41.83 92.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.408 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.01 -38.29 69.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.704 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.27 -24.21 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.517 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.88 -36.36 59.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.647 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 85' ' ' CYS . 50.2 m -72.33 -55.73 6.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 p -48.33 -25.82 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 110.505 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.21 -30.89 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.505 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 82' ' ' THR . 25.6 t -73.43 -50.05 23.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.643 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 88' ' ' PHE . 1.3 m120 -53.45 -35.92 61.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.489 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -46.01 -14.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.517 ' H ' ' C ' ' A' ' 86' ' ' ASN . 53.8 t80 -67.3 -34.95 78.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.509 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -54.47 -16.73 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.671 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.46 ' O ' ' O ' ' A' ' 91' ' ' GLU . 22.0 m95 -69.73 -44.67 69.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.632 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 90' ' ' TRP . 50.7 tt0 44.8 98.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.537 ' C ' HD21 ' A' ' 92' ' ' ASN . 0.4 OUTLIER -80.35 174.21 11.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.445 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.545 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.774 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t -78.19 146.49 34.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.842 0.353 . . . . 0.0 110.604 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.48 -33.14 73.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.439 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 0.3 OUTLIER -63.4 -48.77 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -69.05 -31.71 70.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.361 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 27.0 m -69.46 -36.12 76.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.672 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.47 -42.49 74.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.71 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.8 mmm -67.04 -39.96 87.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.384 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -54.1 -34.45 60.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.623 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.0 m -60.0 -39.13 84.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.747 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.6 mm? -63.79 -31.46 72.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.535 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.403 HG23 HD11 ' B' ' 12' ' ' ILE . 12.4 mm -71.04 -40.3 75.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -59.98 -55.42 34.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.59 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.43 -43.45 94.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.446 ' O ' ' OG ' ' B' ' 19' ' ' SER . 65.8 t80 -55.42 -38.78 69.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.641 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -84.61 -17.95 37.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.548 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.93 -37.18 64.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -90.2 -9.51 47.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.635 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 68.1 m -77.47 6.57 6.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.547 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.01 -6.14 62.02 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -73.43 -74.6 0.17 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.794 0.33 . . . . 0.0 110.613 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -136.68 64.38 1.55 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.41 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' B' ' 24' ' ' ASP . . . -168.66 135.03 3.43 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' B' ' 23' ' ' GLY . 92.0 m-20 -36.93 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.601 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' B' ' 26' ' ' TYR . 17.3 pttp -160.59 -41.17 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.361 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.429 ' N ' ' CG ' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -100.73 17.78 21.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.049 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -129.52 138.27 51.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.467 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.9 tp -134.17 130.53 37.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.213 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 32.7 p -69.24 150.81 47.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.363 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.419 ' NZ ' ' CD2' ' B' ' 61' ' ' LEU . 0.1 OUTLIER -64.92 -43.8 91.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.286 179.717 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -33.78 66.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.524 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -80.32 -50.01 10.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.5 -34.9 69.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.792 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -52.45 -45.09 65.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.478 ' O ' ' OG1' ' B' ' 39' ' ' THR . 74.4 mm-40 -79.37 -27.38 41.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.371 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 41.9 tp -59.02 -54.86 42.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.416 ' HG ' ' H ' ' B' ' 38' ' ' GLN . 3.0 pp -50.53 -47.71 57.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.418 -178.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.416 ' H ' ' HG ' ' B' ' 37' ' ' LEU . 11.0 pt20 -74.79 -25.61 59.17 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.007 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 57.7 m -68.16 -38.9 82.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.201 -179.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.443 ' OE1' ' CB ' ' A' ' 4' ' ' LEU . 65.1 mm-40 -92.73 -26.58 17.69 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.365 -179.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.68 46.22 1.78 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.703 0.287 . . . . 0.0 110.393 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.5 t -68.4 -29.01 67.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.772 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.93 -53.39 9.52 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.439 ' C ' ' H ' ' B' ' 46' ' ' ASP . 22.9 m-85 -45.94 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.584 0.23 . . . . 0.0 110.909 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.11 -9.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.746 0.308 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' B' ' 44' ' ' PHE . 16.1 t70 -104.9 -14.73 15.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.676 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.78 -3.09 19.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.637 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.583 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.2 pp0? -103.61 139.05 39.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.574 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -98.73 -15.98 19.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.583 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 39.3 m-20 -60.99 99.16 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.723 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 71.3 t -76.67 -34.92 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.699 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -69.44 -34.72 74.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.767 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.7 -51.5 64.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.1 p -70.74 -31.99 47.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.704 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -54.96 -48.27 73.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.525 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -64.33 -34.79 78.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.653 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.2 t -75.6 -30.52 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.647 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 29.6 ttp -71.94 -51.49 21.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.46 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -62.96 -31.61 72.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -55.82 -35.23 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.594 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.419 ' CD2' ' NZ ' ' B' ' 30' ' ' LYS . 22.2 mt -64.59 -35.98 82.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -74.88 -27.52 60.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.645 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -71.98 -34.59 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.426 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -93.9 51.63 1.56 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.523 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.451 ' C ' ' N ' ' B' ' 67' ' ' GLY . . . -81.84 8.63 59.28 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -47.6 -16.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.472 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' B' ' 65' ' ' GLY . . . 99.62 -11.78 61.23 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -150.45 132.36 15.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.472 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -94.81 -154.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.952 -179.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -144.94 133.28 21.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.622 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -48.2 -47.59 35.37 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.484 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -51.4 -37.74 49.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 0.0 110.087 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -75.75 -30.52 59.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.531 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -63.12 -40.36 97.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.939 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.4 m -75.45 -30.2 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.74 -39.62 31.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.25 -34.46 49.07 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.006 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 26.9 m -62.2 -41.92 93.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.43 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.26 69.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.747 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.27 -24.44 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.511 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.2 mt -75.61 -36.47 60.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.8 m -72.22 -55.83 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 p -48.35 -25.76 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.55 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.86 65.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.465 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.5 t -73.44 -50.13 23.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.576 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' B' ' 88' ' ' PHE . 1.3 m120 -53.44 -35.83 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -46.07 -14.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.512 ' N ' ' O ' ' B' ' 86' ' ' ASN . 53.8 t80 -67.44 -34.91 78.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.499 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -54.49 -16.61 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.718 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.457 ' O ' ' O ' ' B' ' 91' ' ' GLU . 22.2 m95 -69.91 -44.51 69.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.553 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.457 ' O ' ' O ' ' B' ' 90' ' ' TRP . 50.7 tt0 44.76 98.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.629 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.537 ' C ' HD21 ' B' ' 92' ' ' ASN . 0.4 OUTLIER -80.38 174.16 11.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.52 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.635 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -76.71 154.92 33.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.748 0.308 . . . . 0.0 110.626 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.18 -34.91 74.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 2.8 tm? -58.47 -47.99 82.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.147 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.7 -32.55 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.1 m -66.64 -36.32 82.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.67 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.43 -43.46 75.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.5 mmm -67.96 -38.03 82.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.596 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -54.3 -36.32 63.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -59.64 -43.59 93.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -56.55 -31.1 63.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.384 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.2 mm -70.63 -44.69 76.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.694 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -60.83 -55.69 30.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 p -58.52 -43.03 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.473 ' O ' ' OG ' ' A' ' 19' ' ' SER . 85.5 t80 -60.48 -38.65 84.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.406 ' HE2' ' HB2' ' A' ' 25' ' ' LYS . 4.7 t-80 -71.03 -56.0 7.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.756 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.13 -46.58 11.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.032 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -72.58 -34.81 67.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.732 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 68.1 m -65.04 -16.91 63.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.538 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.26 2.35 7.34 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 19' ' ' SER . 61.9 mmtt -76.82 -106.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.749 0.309 . . . . 0.0 110.515 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -79.85 -35.13 38.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.613 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.14 151.38 51.57 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -61.86 -52.31 64.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.698 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HB2' ' HE2' ' A' ' 16' ' ' HIS . 44.4 pttt -170.27 -45.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.19 26.95 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.199 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -131.8 139.84 49.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.252 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 tp -129.91 114.74 16.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.455 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.431 ' OG ' ' CG ' ' A' ' 32' ' ' GLU . 61.6 p -57.3 158.1 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.361 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' NZ ' ' CG1' ' A' ' 69' ' ' VAL . 0.3 OUTLIER -68.81 -48.07 64.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.687 179.708 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.09 -46.98 82.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.888 -179.561 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' CG ' ' OG ' ' A' ' 29' ' ' SER . 30.0 mm-40 -63.94 -40.27 96.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.866 0.365 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.514 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 2.7 tm? -60.33 -44.73 95.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.287 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -52.59 -45.06 66.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.733 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.2 mt-10 -78.64 -27.11 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.311 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.9 tp -58.52 -56.29 24.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.916 -178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' HG ' ' H ' ' A' ' 38' ' ' GLN . 3.3 pp -50.87 -50.4 57.13 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.463 -178.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.443 ' H ' ' HG ' ' A' ' 37' ' ' LEU . 3.4 pt20 -68.37 -25.54 65.13 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.802 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 74.8 m -73.7 -38.79 64.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.249 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -93.78 -27.18 16.62 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.507 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.69 46.32 1.95 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.843 0.354 . . . . 0.0 110.541 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -68.55 -27.3 65.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.805 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.79 -49.59 10.24 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.438 ' C ' ' H ' ' A' ' 46' ' ' ASP . 14.7 m-85 -50.65 -63.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.953 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.53 -8.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.983 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' A' ' 44' ' ' PHE . 45.8 m-20 -105.44 -11.35 16.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.631 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.34 -2.66 14.74 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.954 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.587 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.5 pp0? -94.98 150.24 20.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.659 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.5 mttp -116.76 -1.5 12.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.537 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.587 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 56.5 m-20 -81.18 105.79 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.9 t -78.91 -24.91 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.593 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -74.6 -33.49 62.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.623 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.73 -51.61 53.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.725 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 p -65.64 -32.49 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.667 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -58.08 -45.8 86.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -66.26 -34.44 78.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.507 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.8 t -76.81 -30.67 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.711 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.0 ttm -70.91 -49.73 42.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.407 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -64.92 -31.74 73.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -53.65 -33.77 56.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.636 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.42 -39.11 92.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.599 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -72.12 -27.47 62.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.792 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -71.07 -36.89 72.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.456 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.574 ' C ' ' H ' ' A' ' 66' ' ' ASP . 2.5 m-80 -93.86 28.43 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.681 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -55.44 -2.62 0.29 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.574 ' H ' ' C ' ' A' ' 64' ' ' ASN . 47.4 t0 -41.34 -18.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.801 0.334 . . . . 0.0 110.579 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.569 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 97.6 -1.2 59.94 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -162.89 132.23 4.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.379 . . . . 0.0 110.604 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.423 ' CG1' ' NZ ' ' A' ' 30' ' ' LYS . 20.9 m -92.43 -171.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.991 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -126.72 154.5 44.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.114 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -52.35 -48.16 65.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.691 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -57.85 -33.43 68.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.661 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' ' CD2' ' A' ' 77' ' ' LEU . 75.2 mm-40 -74.54 -30.95 61.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -70.08 -41.5 74.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.127 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.0 m -75.26 -27.96 20.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.67 -39.54 32.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.401 ' CD2' ' O ' ' A' ' 73' ' ' GLU . 2.7 pp -78.44 -35.1 47.34 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.145 -0.622 . . . . 0.0 112.189 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.0 m -58.51 -41.04 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.393 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.38 -36.77 60.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.694 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.28 -30.36 27.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.529 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.9 mt -74.88 -38.94 61.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.533 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.8 m -64.95 -54.41 31.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.696 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.3 p -53.65 -32.47 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.539 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.57 38.8 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.659 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.5 t -154.08 -54.59 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.549 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -57.34 -30.47 64.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.444 ' O ' ' O ' ' A' ' 90' ' ' TRP . 43.6 t-20 -48.8 -30.44 5.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -51.9 -42.19 62.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.62 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -57.06 -42.44 80.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.547 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.444 ' O ' ' O ' ' A' ' 87' ' ' ASN . 17.5 m95 -94.18 150.46 20.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.627 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -92.47 174.77 7.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.534 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -74.66 151.17 39.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.627 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.543 179.898 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t -76.65 154.78 33.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.831 0.348 . . . . 0.0 110.639 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.14 -34.87 74.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' B' ' 4' ' ' LEU . 2.8 tm? -58.45 -48.02 82.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.134 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.65 -32.62 72.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.1 m -66.71 -36.27 82.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.33 75.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.647 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.8 mmm -68.08 -37.87 81.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.574 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -54.36 -36.36 63.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.9 m -59.6 -43.68 93.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.705 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -56.44 -31.17 63.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.8 mm -70.47 -44.79 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.761 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -60.74 -55.63 30.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.025 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 p -58.7 -42.94 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.753 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.475 ' O ' ' OG ' ' B' ' 19' ' ' SER . 86.2 t80 -60.59 -38.57 85.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.588 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.4 ' HE2' ' HB2' ' B' ' 25' ' ' LYS . 4.7 t-80 -71.04 -56.02 7.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.765 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.11 -46.5 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.017 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -72.75 -34.7 67.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.747 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 68.3 m -65.09 -16.84 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.566 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.21 2.32 7.29 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' B' ' 19' ' ' SER . 61.9 mmtt -76.77 -106.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 110.487 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -79.91 -35.19 38.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.539 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.2 151.41 51.59 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -61.86 -52.41 64.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.593 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.4 ' HB2' ' HE2' ' B' ' 16' ' ' HIS . 44.8 pttt -170.19 -45.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.661 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.19 27.0 8.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.133 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -131.74 139.8 49.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.317 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.4 tp -129.92 114.84 16.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.328 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.433 ' OG ' ' CG ' ' B' ' 32' ' ' GLU . 61.5 p -57.5 158.09 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.366 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.424 ' NZ ' ' CG1' ' B' ' 69' ' ' VAL . 0.2 OUTLIER -68.79 -48.05 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.599 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.426 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.1 -46.98 82.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.885 -179.515 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.433 ' CG ' ' OG ' ' B' ' 29' ' ' SER . 30.0 mm-40 -63.88 -40.38 96.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.928 0.394 . . . . 0.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.515 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.7 tm? -60.22 -44.91 94.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.314 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -52.51 -44.97 66.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.668 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.441 ' O ' ' OG1' ' B' ' 39' ' ' THR . 96.2 mt-10 -78.79 -27.08 44.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.237 -179.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 21.1 tp -58.45 -56.26 24.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.935 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.44 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -50.78 -50.46 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.518 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.44 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 3.4 pt20 -68.47 -25.48 65.0 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.746 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 74.3 m -73.67 -38.9 64.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.198 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -93.78 -27.14 16.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.51 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.72 46.13 2.0 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.517 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -68.32 -27.34 66.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.94 -49.49 9.85 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.441 ' C ' ' H ' ' B' ' 46' ' ' ASP . 14.4 m-85 -50.63 -63.57 1.08 Allowed 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.833 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -55.51 -8.32 0.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.021 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.441 ' H ' ' C ' ' B' ' 44' ' ' PHE . 45.9 m-20 -105.54 -11.32 16.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.636 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.38 -2.67 14.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.965 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.578 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.5 pp0? -94.95 150.37 20.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.732 0.301 . . . . 0.0 110.677 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -116.9 -1.32 12.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.578 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 56.7 m-20 -81.22 105.88 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.551 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.0 t -79.03 -24.94 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.61 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -74.48 -33.44 62.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.82 -51.65 53.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.698 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.2 p -65.63 -32.44 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.692 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -58.16 -45.76 86.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.616 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -66.29 -34.25 77.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.707 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 93.3 t -76.93 -30.64 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.698 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 27.1 ttm -70.92 -49.79 41.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.364 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -64.87 -31.7 73.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -53.76 -33.75 56.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 50.6 mt -62.5 -38.95 91.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -72.09 -27.58 62.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.789 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -71.03 -36.99 72.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.429 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.563 ' C ' ' H ' ' B' ' 66' ' ' ASP . 2.5 m-80 -93.72 28.34 2.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.693 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -55.47 -2.54 0.29 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.563 ' H ' ' C ' ' B' ' 64' ' ' ASN . 47.2 t0 -41.37 -18.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.629 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.569 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 97.47 -0.87 59.97 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -162.99 132.41 4.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.693 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.424 ' CG1' ' NZ ' ' B' ' 30' ' ' LYS . 19.3 m -93.72 -171.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.785 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -126.45 154.74 43.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.12 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -52.64 -47.94 66.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.729 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -57.91 -33.36 68.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.55 -30.85 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -70.25 -41.4 73.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.839 0.352 . . . . 0.0 111.122 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.7 m -75.25 -28.04 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.66 -39.7 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.19 -35.3 48.78 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.113 -0.635 . . . . 0.0 112.183 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 31.1 m -58.38 -41.12 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.484 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.27 -36.7 61.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.36 -30.31 28.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.493 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.87 -38.85 61.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.548 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.0 m -65.07 -54.52 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.598 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 6.3 p -53.64 -32.34 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.536 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.61 38.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.648 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.5 t -154.01 -54.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -57.28 -30.41 64.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.715 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.439 ' O ' ' O ' ' B' ' 90' ' ' TRP . 43.3 t-20 -48.76 -30.58 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.644 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -51.74 -42.33 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.671 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -56.86 -42.49 79.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.625 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.439 ' O ' ' O ' ' B' ' 87' ' ' ASN . 17.6 m95 -94.22 150.38 20.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -92.38 174.76 7.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.55 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -74.68 151.28 39.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.647 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.575 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -62.15 162.49 9.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.797 0.332 . . . . 0.0 110.562 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -56.78 -35.86 69.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.556 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -48.59 69.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.388 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.16 -31.53 69.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.38 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 55.8 m -69.49 -34.93 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.795 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.58 76.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.619 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.4 mmm -65.4 -40.63 93.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.496 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -54.08 -34.22 59.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.651 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.1 m -59.68 -40.08 86.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.648 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.5 mm? -66.26 -31.49 72.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.501 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.435 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 23.4 mm -68.18 -43.79 84.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -59.98 -55.75 30.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.015 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.29 -40.97 89.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.808 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.468 ' O ' ' OG ' ' A' ' 19' ' ' SER . 83.4 t80 -58.37 -40.16 81.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.621 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -82.74 -18.34 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.35 -40.47 67.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.72 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -87.45 -12.23 46.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.775 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.468 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 67.1 m -72.21 -13.81 61.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.545 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.45 -6.38 88.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -61.13 -48.39 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.528 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -167.73 38.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.454 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -131.95 158.55 22.93 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.35 -62.59 1.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.867 0.365 . . . . 0.0 110.396 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 26' ' ' TYR . 17.9 pttp -175.26 -41.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.25 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.42 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -95.68 -15.77 22.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.0 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -90.8 148.32 22.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.694 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 tp -137.03 110.53 7.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.281 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -52.08 143.78 13.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.285 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HZ2' ' HB2' ' A' ' 64' ' ' ASN . 12.6 tptt -68.87 -29.87 68.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.199 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.49 -45.84 80.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.389 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -80.54 -28.52 37.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.964 0.411 . . . . 0.0 110.614 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.483 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 2.2 tm? -55.28 -56.27 21.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.812 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 15.8 ptmt -52.27 -39.05 59.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.97 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.474 ' O ' ' OG1' ' A' ' 39' ' ' THR . 94.6 mt-10 -79.33 -27.66 42.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.829 0.347 . . . . 0.0 111.014 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.1 tp -64.76 -56.15 15.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.675 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -51.06 -48.89 61.46 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.182 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.424 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 13.3 pt20 -70.08 -25.52 63.56 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.974 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 22.2 m -70.76 -40.99 72.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.397 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -93.67 -26.77 16.9 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.432 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.66 46.27 2.04 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.829 0.347 . . . . 0.0 110.529 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -68.65 -34.39 75.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.803 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.48 -50.66 36.21 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.563 ' C ' ' H ' ' A' ' 46' ' ' ASP . 10.2 m-85 -46.11 -67.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.596 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 pp -52.0 -6.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.846 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.563 ' H ' ' C ' ' A' ' 44' ' ' PHE . 11.5 t0 -105.6 -26.48 11.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.755 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.07 -3.11 48.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.559 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.9 pp0? -105.74 133.76 49.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 110.593 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -99.67 -3.22 33.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.625 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.559 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 36.2 m-20 -64.04 105.42 0.86 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.501 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.8 t -80.54 -38.09 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.805 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 35.3 p-10 -70.53 -36.68 73.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.791 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.568 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -65.05 -51.61 60.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.695 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -67.29 -34.97 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.619 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -57.54 -40.84 79.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.652 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -64.79 -40.6 95.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.621 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.6 t -77.07 -30.5 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.729 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.0 ttt -68.6 -51.46 42.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.413 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -65.99 -31.48 72.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.61 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -56.57 -31.05 63.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.744 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.39 -32.94 71.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.561 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -75.12 -48.03 25.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.379 . . . . 0.0 110.418 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -52.25 -39.53 60.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.57 ' C ' ' H ' ' A' ' 66' ' ' ASP . 2.4 m120 -90.99 22.25 3.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.543 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.48 16.94 0.49 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.57 ' H ' ' C ' ' A' ' 64' ' ' ASN . 22.1 t70 -49.59 -43.23 46.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.497 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.98 -13.98 2.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -174.39 134.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.106 0.479 . . . . 0.0 110.999 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -91.85 -172.7 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.993 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -121.76 162.28 21.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.099 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.435 ' CZ ' ' CD1' ' A' ' 12' ' ' ILE . 31.9 t80 -53.83 -51.77 62.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -53.91 -35.02 61.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -75.75 -30.82 59.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.329 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.409 ' CE1' ' CG1' ' A' ' 78' ' ' VAL . 28.2 t80 -68.34 -37.09 80.19 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.309 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.8 m -75.14 -27.75 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.51 -39.51 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.421 -0.511 . . . . 0.0 112.378 -178.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.33 -35.72 47.26 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.107 -0.637 . . . . 0.0 112.071 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.409 ' CG1' ' CE1' ' A' ' 74' ' ' TYR . 26.8 m -59.24 -42.83 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.556 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.04 -35.1 61.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.711 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.62 -25.99 4.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.592 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 72.9 mt -75.65 -33.49 60.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.804 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.551 ' O ' ' N ' ' A' ' 85' ' ' CYS . 51.6 m -67.0 -51.54 53.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.11 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 82' ' ' THR . 3.7 p -36.82 -30.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.799 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 82' ' ' THR . . . -67.3 -40.72 86.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.697 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.551 ' N ' ' O ' ' A' ' 82' ' ' THR . 3.8 t -64.42 -50.75 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.526 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -61.78 -29.02 69.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.61 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -49.46 -17.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' N ' ' C ' ' A' ' 86' ' ' ASN . 44.7 t80 -64.76 -34.44 78.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.603 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -55.9 -16.69 5.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.66 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.414 ' CD1' ' N ' ' A' ' 90' ' ' TRP . 22.0 m95 -70.68 141.0 51.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.628 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -159.83 -39.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.545 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.458 ' O ' ' OXT' ' A' ' 93' ' ' SER . 15.1 m120 56.68 51.87 10.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.458 ' OXT' ' O ' ' A' ' 92' ' ' ASN . 18.5 m . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.528 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -62.14 162.45 9.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.703 0.287 . . . . 0.0 110.554 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -56.61 -35.91 68.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.675 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.42 -48.54 69.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.374 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.24 -31.43 68.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.432 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 54.4 m -69.43 -35.0 75.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.769 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.53 76.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.4 mmm -65.41 -40.7 93.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.48 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -53.97 -34.37 59.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.639 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 20.0 m -59.65 -39.96 86.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.755 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.5 mm? -66.17 -31.53 72.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.469 HG21 HD11 ' B' ' 12' ' ' ILE . 22.9 mm -68.14 -43.85 84.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.883 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -60.04 -55.56 32.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.037 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.47 -40.85 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.718 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.474 ' O ' ' OG ' ' B' ' 19' ' ' SER . 83.3 t80 -58.51 -40.06 81.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.658 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -82.8 -18.18 41.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.44 -40.38 67.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.727 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -87.43 -12.37 46.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.812 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 66.4 m -72.05 -13.82 61.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.568 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.53 -6.34 88.69 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -61.02 -48.55 81.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 110.615 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -167.67 38.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.01 158.63 22.98 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.51 -62.4 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' B' ' 26' ' ' TYR . 17.8 pttp -175.3 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.373 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.421 ' N ' ' CG ' ' B' ' 25' ' ' LYS . 0.1 OUTLIER -95.68 -15.74 22.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.137 179.77 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -90.71 148.49 22.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.668 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 tp -137.22 110.46 7.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.159 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -51.98 143.72 13.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.277 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.402 ' HZ2' ' HB2' ' B' ' 64' ' ' ASN . 12.7 tptt -68.91 -29.85 68.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.221 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.421 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.41 -45.9 80.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.435 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -80.55 -28.49 37.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.571 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.48 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.2 tm? -55.32 -56.29 21.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.724 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.422 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 15.7 ptmt -52.29 -38.99 59.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.053 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.7 mt-10 -79.49 -27.45 41.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.02 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 22.1 tp -64.78 -56.06 15.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.736 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.2 pp -51.23 -48.69 62.03 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.237 -179.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.424 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 13.3 pt20 -70.09 -25.68 63.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 111.0 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 22.1 m -70.59 -41.13 72.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.403 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -93.66 -26.7 16.94 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.337 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.76 46.38 2.03 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.815 0.34 . . . . 0.0 110.444 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -68.83 -34.36 75.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.54 -50.79 34.96 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.555 ' C ' ' H ' ' B' ' 46' ' ' ASP . 10.2 m-85 -45.98 -67.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 110.628 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 pp -52.11 -6.26 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.894 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.555 ' H ' ' C ' ' B' ' 44' ' ' PHE . 11.5 t0 -105.75 -26.44 11.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.658 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.24 -2.86 48.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.554 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.9 pp0? -105.57 133.76 49.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.683 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -99.73 -3.23 33.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.574 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.554 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 36.2 m-20 -64.04 105.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.459 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.4 t -80.52 -38.13 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.746 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 35.3 p-10 -70.56 -36.59 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.576 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -65.21 -51.49 60.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.745 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -67.18 -35.07 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.67 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -57.43 -40.9 79.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -64.98 -40.39 94.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.628 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -77.1 -30.49 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.9 ttt -68.68 -51.4 42.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.393 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -65.94 -31.55 72.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -56.6 -31.08 63.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.741 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.23 -33.0 71.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.676 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -75.12 -48.07 25.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.406 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -52.31 -39.56 60.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.49 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.569 ' C ' ' H ' ' B' ' 66' ' ' ASP . 2.4 m120 -91.04 22.51 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.461 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.63 16.94 0.51 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.569 ' H ' ' C ' ' B' ' 64' ' ' ASN . 22.0 t70 -49.53 -43.21 45.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.52 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.97 -14.03 2.37 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -174.32 134.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.983 0.42 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 m -93.01 -172.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.787 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -121.48 162.3 20.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.197 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.435 ' CZ ' ' CD1' ' B' ' 12' ' ' ILE . 31.5 t80 -53.82 -51.76 62.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.837 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -53.91 -35.06 61.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -75.77 -31.02 59.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.264 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . 0.409 ' CE1' ' CG1' ' B' ' 78' ' ' VAL . 28.2 t80 -68.18 -37.15 80.66 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.278 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 30.7 m -75.05 -27.93 20.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.49 -39.44 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.34 -35.74 47.13 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.224 -0.591 . . . . 0.0 112.094 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.409 ' CG1' ' CE1' ' B' ' 74' ' ' TYR . 26.8 m -59.44 -42.48 87.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.65 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.22 -35.11 61.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.702 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.52 -26.02 4.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.658 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.1 mt -75.71 -33.27 60.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.572 ' O ' ' N ' ' B' ' 85' ' ' CYS . 52.5 m -67.14 -51.54 52.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' B' ' 82' ' ' THR . 3.6 p -36.59 -31.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.772 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 82' ' ' THR . . . -67.24 -40.64 86.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.716 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.572 ' N ' ' O ' ' B' ' 82' ' ' THR . 3.7 t -64.57 -50.65 66.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.545 ' ND2' ' N ' ' B' ' 86' ' ' ASN . 0.8 OUTLIER -61.97 -28.76 69.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.576 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -49.59 -17.85 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.643 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.403 ' N ' ' C ' ' B' ' 86' ' ' ASN . 44.6 t80 -64.81 -34.31 78.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -55.9 -16.8 5.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.412 ' CD1' ' N ' ' B' ' 90' ' ' TRP . 21.8 m95 -70.67 141.14 51.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -159.99 -39.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.585 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.471 ' O ' ' OXT' ' B' ' 93' ' ' SER . 15.2 m120 56.71 51.85 10.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.507 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.471 ' OXT' ' O ' ' B' ' 92' ' ' ASN . 18.6 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.65 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.631 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -63.3 160.02 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.453 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -57.22 -38.7 74.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.73 -48.83 79.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.302 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.49 -32.26 72.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.331 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -69.24 -35.09 75.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.596 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.63 -44.15 76.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.363 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.8 mmm -66.72 -36.36 82.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.474 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 17.7 tt0 -57.14 -34.5 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.723 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.2 m -60.3 -41.6 93.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -60.63 -31.21 70.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.557 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.439 HD11 HG22 ' A' ' 12' ' ' ILE . 15.3 mm -68.9 -42.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 11.4 m-80 -59.97 -55.59 32.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.016 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.17 -39.04 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.734 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.485 ' O ' ' OG ' ' A' ' 19' ' ' SER . 85.0 t80 -55.14 -42.7 73.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.656 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -80.17 -39.62 28.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.779 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.71 -41.43 43.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.025 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -87.86 -11.12 48.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.826 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 49.7 m -71.6 -23.71 61.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.653 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.57 -2.64 64.46 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -69.05 -54.43 15.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.819 0.343 . . . . 0.0 110.585 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -129.28 -44.66 1.25 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.436 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.4 172.9 41.01 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -90.05 -55.03 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.714 0.292 . . . . 0.0 110.718 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.453 ' C ' ' H ' ' A' ' 27' ' ' LYS . 44.1 mttm -140.23 -89.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.659 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -76.78 17.21 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 25' ' ' LYS . 20.5 mtpp -109.35 132.63 53.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.607 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 tp -140.76 115.45 9.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.401 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 p -61.46 154.65 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.409 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -68.56 -35.45 77.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.296 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.02 -43.41 81.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.115 -179.323 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -79.03 -28.65 43.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.799 0.333 . . . . 0.0 110.998 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 3.0 tm? -65.33 -55.52 17.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.722 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.19 -40.63 61.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.741 0.305 . . . . 0.0 110.902 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.481 ' O ' ' OG1' ' A' ' 39' ' ' THR . 28.5 mm-40 -79.31 -27.31 42.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.061 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.3 tp -61.47 -56.24 22.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.909 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -50.8 -49.88 57.49 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.447 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 12.0 pt20 -65.04 -25.68 67.93 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.332 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 25.0 m -74.22 -45.36 48.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.449 -179.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.584 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -87.83 -27.52 22.2 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.524 -178.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mp -116.27 45.03 1.85 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.842 0.353 . . . . 0.0 110.286 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 p -68.22 -27.87 66.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.014 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.25 -48.58 10.74 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.447 ' C ' ' H ' ' A' ' 46' ' ' ASP . 10.0 m-85 -50.26 -65.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.823 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.24 -9.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.804 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.447 ' H ' ' C ' ' A' ' 44' ' ' PHE . 15.2 t70 -102.24 -17.9 15.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.651 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.24 -3.12 29.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.797 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' C ' ' CD ' ' A' ' 48' ' ' GLN . 4.4 pp0? -103.61 136.46 43.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.666 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -98.0 -24.9 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.445 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -51.43 103.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.721 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.99 -35.08 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.594 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -70.24 -36.96 74.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.657 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.45 69.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.676 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.45 -31.91 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -59.51 -46.14 89.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.565 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.84 -37.77 88.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.561 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -75.0 -30.41 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.649 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 ttt -71.05 -50.39 34.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.387 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -65.63 -31.76 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -54.06 -30.65 48.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.502 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.3 mt -63.44 -39.86 95.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.402 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -69.83 -27.53 64.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.645 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.56 -40.34 76.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.579 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.578 ' C ' ' H ' ' A' ' 66' ' ' ASP . 8.8 m120 -92.1 32.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.764 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.588 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -58.15 1.12 0.27 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' A' ' 64' ' ' ASN . 24.2 t70 -39.14 -21.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.342 . . . . 0.0 110.595 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 97.9 3.54 58.06 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -169.11 131.95 1.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.064 0.459 . . . . 0.0 110.865 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.6 m -92.59 -172.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.874 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -129.96 153.77 48.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.708 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -48.5 -50.41 31.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.852 0.358 . . . . 0.0 110.67 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -57.58 -33.72 68.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -75.31 -30.54 60.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -69.74 -41.49 75.19 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.952 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.9 m -75.04 -27.6 20.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.86 -38.43 36.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.12 -44.11 27.04 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.755 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.0 m -58.62 -34.93 52.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.319 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.2 -34.26 61.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.625 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.35 -27.26 65.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.655 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.0 mt -75.44 -31.16 60.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.617 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.4 m -68.39 -55.35 12.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -52.92 -20.95 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.78 25.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 19.5 t -146.57 -54.22 0.25 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.617 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -52.59 -36.23 55.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.753 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -46.72 -24.31 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.669 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -56.72 -45.7 81.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.666 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -58.19 -47.12 84.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.726 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -82.28 158.58 23.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.495 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 50.48 85.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.462 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.426 ' OD1' ' C ' ' A' ' 92' ' ' ASN . 30.9 p30 -137.98 30.53 2.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.474 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.936 -1.03 . . . . 0.0 110.611 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.4 m -63.34 160.01 16.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.342 . . . . 0.0 110.471 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -57.21 -38.74 74.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tt -58.77 -48.68 80.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.382 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.54 -32.29 72.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.232 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 29.6 m -69.25 -35.2 75.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.44 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.91 76.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.457 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.2 mmm -66.81 -36.41 82.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 17.6 tt0 -57.11 -34.35 68.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.77 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.1 m -60.45 -41.71 94.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -60.51 -31.24 70.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.668 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -68.81 -42.87 82.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 11.3 m-80 -59.93 -55.58 32.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.005 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.22 -39.17 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.489 ' O ' ' OG ' ' B' ' 19' ' ' SER . 84.8 t80 -55.12 -42.57 73.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -80.44 -39.57 27.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.622 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.55 -41.36 41.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.157 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -87.89 -11.23 48.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.832 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 49.3 m -71.57 -23.87 61.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 0.0 110.489 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.39 -2.66 63.84 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -69.1 -54.38 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.636 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -129.34 -44.53 1.25 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.42 172.99 40.91 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -90.08 -55.09 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 110.735 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.448 ' C ' ' H ' ' B' ' 27' ' ' LYS . 44.1 mttm -140.31 -89.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.628 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -76.64 17.08 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' B' ' 25' ' ' LYS . 20.6 mtpp -109.3 132.62 53.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.589 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 tp -140.74 115.36 9.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.429 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.3 p -61.51 154.71 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.492 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 7.2 tptt -68.74 -35.23 76.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.342 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.408 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.22 -43.18 82.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.163 -179.375 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -79.19 -28.45 42.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.937 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.498 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 3.0 tm? -65.34 -55.6 17.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.692 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.13 -40.78 61.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.838 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.477 ' O ' ' OG1' ' B' ' 39' ' ' THR . 28.7 mm-40 -79.13 -27.37 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.02 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.2 tp -61.59 -56.27 21.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.797 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.2 pp -50.86 -49.66 58.54 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.438 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 12.0 pt20 -65.24 -25.51 67.71 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.348 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 24.8 m -74.21 -45.32 49.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.482 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.576 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 0.0 OUTLIER -87.88 -27.6 22.1 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.555 -178.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mp -116.16 45.22 1.8 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.728 0.299 . . . . 0.0 110.3 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 26.6 p -68.37 -27.86 66.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.992 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.21 -48.54 10.86 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.444 ' C ' ' H ' ' B' ' 46' ' ' ASP . 10.1 m-85 -50.26 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.581 0.229 . . . . 0.0 110.803 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.27 -9.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.802 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.444 ' H ' ' C ' ' B' ' 44' ' ' PHE . 15.2 t70 -102.15 -17.87 15.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.4 -3.04 29.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.753 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -103.73 136.48 43.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.637 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -97.93 -24.87 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -51.43 103.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.61 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.04 -35.12 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.617 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -70.19 -37.01 75.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.63 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.77 -51.36 70.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.704 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.41 -31.97 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.656 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.5 -46.15 89.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.8 -37.84 88.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.84 -30.56 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.701 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.7 ttt -70.91 -50.49 34.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.433 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -65.6 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -53.94 -30.73 47.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.452 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.48 -39.85 95.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.354 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -69.77 -27.71 65.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.559 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.48 -40.39 77.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.576 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.557 ' C ' ' H ' ' B' ' 66' ' ' ASP . 8.8 m120 -92.19 32.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.702 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.588 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -58.16 1.16 0.27 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.557 ' H ' ' C ' ' B' ' 64' ' ' ASN . 24.2 t70 -39.29 -21.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.761 0.315 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 97.79 3.81 58.1 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -169.18 131.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.084 0.469 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -93.7 -172.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.633 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -129.54 153.95 47.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.796 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -48.62 -50.27 33.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.778 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -57.62 -33.75 68.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -75.25 -30.56 60.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -69.72 -41.55 75.17 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.995 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.02 -27.6 20.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.87 -38.25 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 120.462 -0.495 . . . . 0.0 112.324 -178.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.32 -43.89 26.69 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.021 -0.672 . . . . 0.0 111.807 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 16.8 m -58.83 -34.81 53.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.231 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.25 -34.29 61.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.565 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.37 -27.21 65.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.578 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -75.46 -31.26 60.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.522 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.8 m -68.29 -55.41 12.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.982 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -52.89 -20.94 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.784 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.82 25.83 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.479 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 19.5 t -146.59 -54.2 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.701 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -52.55 -36.28 55.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.704 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -46.79 -24.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.578 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -56.79 -45.61 82.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.674 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -58.27 -47.13 84.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.693 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -82.22 158.68 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.586 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 50.43 85.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.518 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' B' ' 92' ' ' ASN . 30.8 p30 -137.85 30.57 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.571 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.605 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.483 ' O ' ' OG1' ' A' ' 6' ' ' THR . 70.4 m -97.48 148.06 23.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.735 0.302 . . . . 0.0 110.661 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -64.12 -40.46 96.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.95 -48.63 80.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.063 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.46 -32.1 73.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.408 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 2' ' ' SER . 23.1 m -69.36 -35.01 75.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.647 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.54 -47.65 75.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 57.5 mmm -66.54 -34.61 78.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 13.2 tt0 -56.23 -36.27 68.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.632 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.0 m -58.56 -43.02 89.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -59.04 -31.36 68.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.48 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.5 mm -71.12 -43.56 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 35.2 m-80 -60.03 -55.65 31.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.4 p -60.94 -38.93 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.694 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.466 ' O ' ' OG ' ' A' ' 19' ' ' SER . 85.1 t80 -57.8 -38.89 76.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.776 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -83.71 -17.96 39.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.12 61.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.794 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.405 ' CD2' ' CD1' ' A' ' 36' ' ' LEU . 63.4 m-70 -86.26 -10.49 54.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 75.1 m -76.38 4.26 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.6 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.55 -9.63 59.94 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -71.73 -65.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.713 0.292 . . . . 0.0 110.47 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -139.02 66.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.475 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -167.2 -178.79 39.75 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -97.78 -70.07 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.897 0.38 . . . . 0.0 110.612 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -144.87 -64.55 0.34 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -95.64 14.97 21.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -109.65 138.26 46.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -138.56 124.73 20.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.907 0.384 . . . . 0.0 110.255 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.6 p -67.6 147.28 52.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.426 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.577 ' HZ2' ' C ' ' A' ' 64' ' ' ASN . 1.2 tppp? -68.81 -38.15 79.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.076 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.644 ' CE ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.93 -40.0 75.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.426 179.869 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -80.55 -28.4 37.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.981 0.419 . . . . 0.0 110.353 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 2.7 tm? -58.93 -55.77 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.757 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.25 -37.18 54.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.868 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.484 ' O ' ' OG1' ' A' ' 39' ' ' THR . 50.1 mt-10 -79.19 -27.36 42.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.405 ' CD1' ' CD2' ' A' ' 18' ' ' HIS . 20.9 tp -64.53 -56.32 14.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.707 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -51.67 -48.83 63.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.642 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.442 ' N ' ' CD1' ' A' ' 37' ' ' LEU . 11.1 pt20 -68.46 -25.76 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.298 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 51.5 m -69.51 -40.61 76.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.281 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -93.71 -26.72 16.89 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.099 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.53 44.89 2.26 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.48 -27.36 66.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.69 -51.58 7.07 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.579 ' C ' ' H ' ' A' ' 46' ' ' ASP . 6.8 m-85 -45.99 -64.29 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.627 0.251 . . . . 0.0 110.903 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 pp -52.93 -4.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.105 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' A' ' 44' ' ' PHE . 10.9 t0 -101.28 -23.17 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.693 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.77 -3.11 33.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.21 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.3 pp0? -97.11 128.35 43.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.663 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -99.43 -2.31 36.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.562 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.498 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 90.1 m-20 -71.43 104.31 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.598 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.8 t -76.92 -31.25 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.569 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.87 -37.37 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.646 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.5 -51.56 68.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.701 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.63 -32.32 57.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -56.48 -43.96 80.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -65.54 -36.6 84.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.595 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.9 t -75.79 -30.69 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.1 ttm -72.69 -50.77 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.332 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -63.68 -31.57 72.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.461 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -54.97 -35.95 64.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.598 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.576 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 40.8 mt -61.38 -35.61 77.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.48 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -74.17 -27.53 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.654 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -78.34 -40.96 34.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.367 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.577 ' C ' ' HZ2' ' A' ' 30' ' ' LYS . 68.9 m-80 -96.2 34.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.556 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.18 9.09 4.35 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 64' ' ' ASN . 48.0 t0 -45.02 -23.8 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.482 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.85 -15.3 31.49 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -149.62 131.77 15.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.905 0.383 . . . . 0.0 110.489 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 m -92.88 -171.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.88 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -124.8 151.6 44.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.167 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -52.02 -47.4 65.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.655 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.94 -33.75 69.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.676 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -75.55 -30.9 59.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.257 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -70.07 -39.13 75.8 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.204 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.21 -28.13 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.64 -40.41 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.31 -35.83 47.3 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.106 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 m -58.61 -39.54 76.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.491 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.25 -39.74 62.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.742 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.78 -28.24 3.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.0 mt -75.39 -35.58 61.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.0 m -67.72 -54.67 17.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.79 -17.09 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.644 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.88 26.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.9 t -148.83 -54.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.589 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -53.91 -40.25 66.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -53.49 -21.17 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -55.23 -42.49 73.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.684 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -56.14 -48.48 76.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.626 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -89.64 123.52 33.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.55 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.456 ' OE2' ' OG ' ' A' ' 93' ' ' SER . 83.6 tt0 -153.25 139.29 18.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.514 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -93.05 47.44 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.589 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.456 ' OG ' ' OE2' ' A' ' 91' ' ' GLU . 54.7 p . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.51 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.484 ' O ' ' OG1' ' B' ' 6' ' ' THR . 69.8 m -97.49 148.11 23.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.528 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -64.27 -40.44 95.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.75 -48.68 80.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.228 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.51 -32.09 73.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.414 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' B' ' 2' ' ' SER . 23.3 m -69.37 -34.91 75.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.634 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.61 -47.62 76.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 57.6 mmm -66.61 -34.62 78.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.385 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 13.1 tt0 -56.19 -36.27 68.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.64 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.0 m -58.56 -42.92 89.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.701 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -59.14 -31.28 68.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.446 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.7 mm -71.31 -43.59 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.735 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 34.7 m-80 -59.84 -55.59 32.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.14 -38.74 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.744 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.459 ' O ' ' OG ' ' B' ' 19' ' ' SER . 84.9 t80 -57.83 -39.05 76.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.716 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -83.67 -17.89 39.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.707 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.06 61.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.411 ' CD2' ' CD1' ' B' ' 36' ' ' LEU . 63.0 m-70 -86.41 -10.4 54.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.835 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.459 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 75.4 m -76.37 4.23 9.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.654 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.62 -9.64 59.85 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -71.63 -65.13 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.715 0.293 . . . . 0.0 110.603 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -139.13 66.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -167.2 -178.93 39.85 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -97.78 -70.01 0.74 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.794 0.331 . . . . 0.0 110.598 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -144.84 -64.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.574 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -95.72 15.09 21.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -109.82 138.17 46.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.391 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -138.49 124.72 20.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.958 0.408 . . . . 0.0 110.279 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -67.65 147.45 52.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.439 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.578 ' NZ ' ' O ' ' B' ' 61' ' ' LEU . 1.2 tppp? -68.96 -38.09 79.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.046 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.639 ' H ' ' CE ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.86 -40.06 75.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 179.82 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.55 -28.37 37.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.335 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.491 ' CD1' ' C ' ' B' ' 33' ' ' LEU . 2.7 tm? -59.01 -55.75 31.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.696 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.33 -37.2 55.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.847 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.487 ' O ' ' OG1' ' B' ' 39' ' ' THR . 50.0 mt-10 -79.04 -27.47 43.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.411 ' CD1' ' CD2' ' B' ' 18' ' ' HIS . 21.1 tp -64.46 -56.28 15.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.862 -179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' B' ' 38' ' ' GLN . 3.2 pp -51.67 -49.0 63.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.527 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.442 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 11.1 pt20 -68.32 -25.78 65.29 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.232 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 51.7 m -69.53 -40.64 76.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.293 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -93.62 -26.74 16.95 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.15 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.53 44.88 2.26 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 110.477 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -27.3 65.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.8 -51.4 7.12 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.564 ' C ' ' H ' ' B' ' 46' ' ' ASP . 6.7 m-85 -46.1 -64.19 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.924 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 pp -53.08 -4.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.995 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.564 ' H ' ' C ' ' B' ' 44' ' ' PHE . 10.9 t0 -101.39 -23.14 14.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.636 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.8 -3.03 33.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.145 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.3 pp0? -97.08 128.29 43.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 110.686 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -99.39 -2.26 36.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.5 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 90.1 m-20 -71.58 104.41 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.6 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.89 -31.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.62 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -71.82 -37.29 70.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.62 -51.44 69.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.668 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.75 -32.28 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.42 -44.13 80.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -65.49 -36.58 84.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.586 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.8 t -75.82 -30.63 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.2 ttm -72.65 -50.76 22.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -63.75 -31.6 72.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.458 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -54.85 -36.03 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.595 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.578 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 40.9 mt -61.39 -35.56 77.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -74.24 -27.46 60.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.625 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -78.32 -40.97 35.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.34 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.568 ' C ' ' HZ2' ' B' ' 30' ' ' LYS . 68.8 m-80 -96.2 34.53 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.17 8.97 4.43 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' B' ' 64' ' ' ASN . 48.3 t0 -45.19 -23.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.328 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.75 -14.95 31.95 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -149.85 131.61 15.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.925 0.393 . . . . 0.0 110.55 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 14.2 m -93.93 -171.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.628 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -124.25 151.63 43.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.229 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.07 -47.43 65.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.603 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.93 -33.72 69.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.72 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -75.62 -30.8 59.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.262 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -70.1 -39.17 75.68 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.265 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.24 -28.09 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.69 -40.35 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.34 -35.79 47.11 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.259 -0.576 . . . . 0.0 112.094 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 29.3 m -58.68 -39.43 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.413 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.35 -39.8 62.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.666 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.58 -28.4 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.9 mt -75.26 -35.55 61.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.1 m -67.77 -54.71 17.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.777 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.9 -17.01 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.574 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.8 26.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.623 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 6.8 t -148.78 -54.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -53.9 -40.22 66.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.584 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -53.62 -21.16 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -55.16 -42.54 73.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -56.14 -48.41 76.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.746 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -89.74 123.52 33.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.568 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.457 ' OE2' ' OG ' ' B' ' 93' ' ' SER . 83.5 tt0 -153.15 139.18 18.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.565 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -92.96 47.45 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.457 ' OG ' ' OE2' ' B' ' 91' ' ' GLU . 54.8 p . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.598 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.722 0.296 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.79 -36.63 79.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.528 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.598 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -60.01 -48.6 81.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -71.5 -31.76 67.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.571 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.6 m -69.39 -35.04 75.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.41 -44.66 76.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.492 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.2 mmm -68.47 -35.85 78.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.26 -34.88 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.665 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.1 m -61.63 -36.8 81.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.631 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.5 mm? -65.55 -31.4 72.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.415 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.8 mm -70.16 -44.78 77.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.924 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -59.95 -55.78 29.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.7 p -58.93 -43.67 89.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.74 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.521 ' N ' HG13 ' A' ' 14' ' ' VAL . 84.4 t80 -59.38 -36.91 76.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.676 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 19' ' ' SER . 3.0 t-80 -70.98 -59.51 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.762 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.48 -34.46 0.84 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.872 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.546 ' CD2' HD13 ' A' ' 36' ' ' LEU . 50.9 m-70 -87.54 -21.16 25.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 16' ' ' HIS . 51.6 m -72.53 -8.38 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.567 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.38 -2.13 89.16 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -65.32 -110.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.435 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -79.83 -29.89 40.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.478 ' O ' ' OD1' ' A' ' 24' ' ' ASP . . . -68.69 -144.32 0.13 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' A' ' 23' ' ' GLY . 97.0 m-20 -140.02 -61.85 0.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.751 0.31 . . . . 0.0 110.575 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -139.84 -64.65 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.46 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -97.54 1.88 49.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.405 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -99.82 139.59 35.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.678 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.575 ' N ' ' OE2' ' A' ' 68' ' ' GLU . 37.1 tp -150.29 126.47 10.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.391 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.1 p -70.97 147.0 49.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.593 ' HZ3' HD23 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -65.58 -37.47 86.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.386 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -56.91 -39.91 75.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.637 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -80.28 -40.9 25.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.789 ' O ' HD23 ' A' ' 33' ' ' LEU . 2.7 tt -65.29 -34.5 78.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.709 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -52.14 -44.51 64.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.565 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -79.62 -27.56 41.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.169 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.546 HD13 ' CD2' ' A' ' 18' ' ' HIS . 45.1 tp -58.55 -56.35 23.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.759 -179.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.0 pp -50.82 -47.43 60.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.572 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.653 ' N ' HD12 ' A' ' 37' ' ' LEU . 14.6 pt20 -76.39 -25.44 54.55 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.314 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.6 m -66.82 -39.47 87.71 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.337 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.585 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 2.8 mp0 -91.05 -26.89 18.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.013 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.54 43.7 2.01 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.825 0.345 . . . . 0.0 110.192 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.421 ' HA ' HD21 ' A' ' 45' ' ' LEU . 59.9 p -68.26 -27.36 66.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.79 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.97 -49.38 16.95 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.521 ' C ' ' H ' ' A' ' 46' ' ' ASP . 11.6 m-85 -49.36 -61.62 1.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.698 0.285 . . . . 0.0 110.734 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.555 HD12 ' C ' ' A' ' 45' ' ' LEU . 3.9 pp -55.06 -4.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.683 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.521 ' H ' ' C ' ' A' ' 44' ' ' PHE . 14.0 t0 -104.29 -20.21 13.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.556 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.04 -2.94 26.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.88 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.582 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 2.1 pp0? -96.65 129.5 44.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.852 0.358 . . . . 0.0 110.637 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -94.13 -15.38 24.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.477 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.582 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 65.3 m-20 -64.92 101.86 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.643 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.4 t -75.44 -31.7 24.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -71.95 -36.07 69.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.658 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.22 -51.35 69.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.653 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.22 -34.01 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.59 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.7 -42.52 93.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -62.64 -41.98 99.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.64 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -72.4 -30.47 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.761 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.9 ttt -70.86 -51.43 26.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.334 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -66.59 -31.65 72.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.619 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -52.87 -30.79 35.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.466 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.593 HD23 ' HZ3' ' A' ' 30' ' ' LYS . 95.8 mt -64.07 -39.94 95.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -69.76 -27.39 64.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -68.01 -40.99 82.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.532 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.533 ' C ' ' H ' ' A' ' 66' ' ' ASP . 70.3 m-80 -103.69 30.99 4.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.538 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -59.93 2.84 0.35 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' A' ' 64' ' ' ASN . 21.9 t70 -37.78 -24.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 110.41 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 108.01 -3.5 33.63 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.575 ' OE2' ' N ' ' A' ' 28' ' ' LEU . 6.9 tp10 -153.2 132.03 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.413 . . . . 0.0 110.814 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.571 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.69 -153.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.81 179.582 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.571 ' H ' HG12 ' A' ' 69' ' ' VAL . 59.3 t0 -148.71 140.56 23.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.028 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -48.49 -49.23 36.65 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.452 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -52.6 -36.12 55.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.232 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -75.74 -30.68 59.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.704 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.685 ' O ' HG13 ' A' ' 78' ' ' VAL . 21.7 t80 -64.21 -40.04 95.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.843 0.354 . . . . 0.0 110.759 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.9 -30.64 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.237 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.47 -38.36 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.8 pp -78.59 -35.57 45.58 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.114 -0.635 . . . . 0.0 111.847 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 74' ' ' TYR . 29.7 m -60.38 -40.21 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.261 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.45 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -74.72 -41.5 60.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.622 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.02 -29.02 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.686 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.6 mt -75.19 -39.21 60.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.726 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.432 HG22 ' OD1' ' A' ' 86' ' ' ASN . 80.4 m -64.68 -54.65 28.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.747 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.424 ' C ' ' H ' ' A' ' 85' ' ' CYS . 11.1 p -57.37 -25.79 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.546 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.87 20.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.557 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.424 ' H ' ' C ' ' A' ' 83' ' ' VAL . 40.8 t -141.99 -42.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.432 ' OD1' HG22 ' A' ' 82' ' ' THR . 34.7 m120 -53.07 -31.62 42.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.663 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -46.72 -28.68 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.586 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.3 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.607 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.729 0.299 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.83 -36.67 79.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.598 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -59.91 -48.6 81.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.39 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -71.51 -31.73 67.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.529 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 32.6 m -69.39 -35.15 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.726 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.19 -44.67 75.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.606 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 66.2 mmm -68.57 -35.94 78.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.483 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.22 -34.94 64.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.625 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.5 m -61.55 -36.85 81.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.638 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.5 mm? -65.48 -31.46 72.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.431 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 14.7 mm -70.21 -44.68 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.929 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -60.2 -55.55 32.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.528 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.7 p -59.03 -43.57 89.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.764 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.528 ' N ' HG13 ' B' ' 14' ' ' VAL . 84.6 t80 -59.16 -37.15 76.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.772 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.532 ' O ' ' N ' ' B' ' 19' ' ' SER . 3.0 t-80 -71.02 -59.58 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.633 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.33 -34.55 0.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.925 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.553 ' CD2' HD13 ' B' ' 36' ' ' LEU . 50.7 m-70 -87.49 -21.17 25.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.779 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.532 ' N ' ' O ' ' B' ' 16' ' ' HIS . 51.9 m -72.61 -8.39 55.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.487 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.23 -2.18 89.32 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -65.27 -110.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.557 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -79.76 -30.0 40.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.415 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.477 ' O ' ' OD1' ' B' ' 24' ' ' ASP . . . -68.73 -144.2 0.13 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.477 ' OD1' ' O ' ' B' ' 23' ' ' GLY . 97.0 m-20 -140.01 -61.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.359 . . . . 0.0 110.485 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -139.8 -64.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -97.6 2.01 49.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.371 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -99.88 139.62 35.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.65 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.585 ' N ' ' OE2' ' B' ' 68' ' ' GLU . 36.4 tp -150.32 126.4 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.422 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.8 p -71.0 146.79 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.972 0.415 . . . . 0.0 111.02 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.622 ' HZ3' HD23 ' B' ' 61' ' ' LEU . 0.5 OUTLIER -65.41 -37.37 86.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.458 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -57.07 -39.8 75.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.649 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -80.28 -40.9 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.78 ' O ' HD23 ' B' ' 33' ' ' LEU . 2.7 tt -65.31 -34.54 78.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.65 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -52.05 -44.59 64.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.526 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -79.64 -27.38 40.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.257 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.553 HD13 ' CD2' ' B' ' 18' ' ' HIS . 45.4 tp -58.71 -56.36 23.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.744 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.65 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.0 pp -50.68 -47.6 58.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.594 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.65 ' N ' HD12 ' B' ' 37' ' ' LEU . 14.6 pt20 -76.29 -25.44 54.86 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.383 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 33.1 m -66.7 -39.71 88.18 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.336 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.588 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 2.7 mp0 -90.99 -26.79 19.05 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.008 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.62 43.67 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.209 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.415 ' HA ' HD21 ' B' ' 45' ' ' LEU . 60.1 p -68.28 -27.45 66.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.76 -49.52 17.58 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.517 ' C ' ' H ' ' B' ' 46' ' ' ASP . 11.5 m-85 -49.35 -61.58 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.675 0.274 . . . . 0.0 110.723 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.562 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.9 pp -55.15 -4.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.678 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' B' ' 44' ' ' PHE . 14.0 t0 -104.25 -20.3 13.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.638 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.86 -3.11 26.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.581 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 2.1 pp0? -96.57 129.34 43.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.637 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -94.06 -15.41 24.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.581 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 65.6 m-20 -65.01 102.04 0.57 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.452 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 96.4 t -75.36 -31.9 24.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.5 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -71.87 -35.93 69.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.669 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.39 -51.4 69.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.619 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.15 -34.12 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.571 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.57 -42.63 92.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.551 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -62.52 -42.0 99.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.654 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 62.0 t -72.5 -30.47 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.592 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.9 ttt -70.87 -51.33 27.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.43 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -66.57 -31.7 72.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.563 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -52.78 -30.87 35.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.387 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.622 HD23 ' HZ3' ' B' ' 30' ' ' LYS . 95.8 mt -64.17 -39.82 94.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.612 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -69.81 -27.45 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.639 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -67.96 -40.98 83.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.524 ' C ' ' H ' ' B' ' 66' ' ' ASP . 70.3 m-80 -103.72 31.03 4.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.53 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.574 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -60.05 2.99 0.35 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.524 ' H ' ' C ' ' B' ' 64' ' ' ASN . 21.7 t70 -37.79 -24.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.467 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 107.89 -3.16 33.79 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.585 ' OE2' ' N ' ' B' ' 28' ' ' LEU . 7.0 tp10 -153.29 132.06 12.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.378 . . . . 0.0 110.69 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.568 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.7 OUTLIER -93.81 -153.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.558 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.568 ' H ' HG12 ' B' ' 69' ' ' VAL . 59.5 t0 -149.25 140.64 23.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.877 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -48.54 -49.24 37.09 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.413 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -52.51 -36.23 54.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.257 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -75.6 -30.79 59.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.689 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.677 ' O ' HG13 ' B' ' 78' ' ' VAL . 21.7 t80 -64.19 -40.08 95.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.798 0.332 . . . . 0.0 110.781 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.84 -30.58 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.64 -38.3 30.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.415 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.8 pp -78.54 -35.6 45.91 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.921 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.677 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.3 m -60.32 -40.23 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.348 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.45 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -74.75 -41.31 60.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.734 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.16 -28.94 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.62 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 77.4 mt -75.2 -39.24 60.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.72 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.436 HG22 ' OD1' ' B' ' 86' ' ' ASN . 81.4 m -64.69 -54.74 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.643 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.432 ' C ' ' H ' ' B' ' 85' ' ' CYS . 11.2 p -57.33 -25.78 24.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.84 20.74 0.23 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.432 ' H ' ' C ' ' B' ' 83' ' ' VAL . 41.1 t -141.89 -42.86 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.436 ' OD1' HG22 ' B' ' 82' ' ' THR . 34.7 m120 -52.97 -31.65 41.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.635 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -46.62 -28.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.497 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.3 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.485 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.807 0.337 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -52.19 -31.07 30.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -71.36 -48.54 49.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.407 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.98 -35.25 80.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.59 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.8 p -69.36 -34.78 75.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.698 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.04 -37.04 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.69 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.0 mmm -75.58 -38.47 59.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.457 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -54.64 -35.34 63.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.671 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.1 m -58.89 -41.04 86.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.752 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.613 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -63.31 -31.3 72.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.483 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.42 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 15.2 mm -70.89 -38.67 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -59.78 -55.06 38.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.779 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.65 -37.25 75.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.52 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -60.73 -46.08 91.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.56 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -77.35 -18.07 57.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.678 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.74 -35.76 65.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.697 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.58 ' CD2' HD13 ' A' ' 36' ' ' LEU . 45.9 m-70 -92.55 -13.33 29.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.6 m -74.77 3.65 7.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.56 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.63 3.74 71.79 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -82.31 -75.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.61 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -112.63 -42.9 3.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.623 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.63 165.53 3.87 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -86.06 -59.37 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.627 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -145.17 -69.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.446 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.517 ' CZ ' HG23 ' B' ' 83' ' ' VAL . 0.1 OUTLIER -90.27 -3.58 57.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.127 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -92.13 146.59 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.623 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.7 tp -144.04 122.11 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.454 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -62.96 147.87 49.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' HZ3' ' HB3' ' A' ' 61' ' ' LEU . 26.4 tptp -68.2 -40.57 82.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.415 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.488 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.85 -37.14 70.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.849 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -81.51 -31.68 32.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.545 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.783 ' O ' HD23 ' A' ' 33' ' ' LEU . 2.6 tt -72.13 -39.14 69.02 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.819 0.304 . . . . 0.0 111.819 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 10.4 ptmm? -51.34 -40.54 59.31 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.841 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' O ' ' OG1' ' A' ' 39' ' ' THR . 91.2 mt-10 -79.66 -31.97 41.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.58 HD13 ' CD2' ' A' ' 18' ' ' HIS . 31.0 tp -55.58 -56.2 23.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.924 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.0 pp -50.47 -48.21 56.76 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.016 -0.273 . . . . 0.0 111.545 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.659 ' N ' HD12 ' A' ' 37' ' ' LEU . 20.5 pt20 -75.22 -25.68 58.35 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.066 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 57.3 m -65.76 -38.48 89.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.062 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.5 ' C ' HD12 ' A' ' 41' ' ' LEU . 63.6 mm-40 -92.17 -26.71 18.1 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.069 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.3 mp -114.69 45.01 1.64 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -68.41 -27.42 66.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.32 -52.46 5.6 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.529 ' C ' ' H ' ' A' ' 46' ' ' ASP . 12.9 m-85 -46.93 -63.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.656 0.265 . . . . 0.0 110.864 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.489 HD12 ' C ' ' A' ' 45' ' ' LEU . 3.8 pp -53.79 -4.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.718 0.294 . . . . 0.0 110.9 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' A' ' 44' ' ' PHE . 5.4 t70 -105.61 -20.84 13.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.791 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.94 -2.96 33.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.956 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.0 pp0? -93.16 139.19 30.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 110.773 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -103.48 -12.15 17.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.491 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.507 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 83.9 m-20 -71.31 98.16 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.96 -27.68 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.568 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -73.5 -37.29 65.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.707 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.81 -51.41 68.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.681 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.3 p -66.0 -32.27 57.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.48 -47.68 81.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -62.13 -37.21 84.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.63 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -76.37 -30.6 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.83 -51.6 21.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -63.2 -31.82 73.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.486 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -53.15 -33.69 53.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.616 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.443 ' HB3' ' HZ3' ' A' ' 30' ' ' LYS . 59.5 mt -62.16 -36.24 81.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.654 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -74.71 -27.86 60.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -78.15 -41.23 35.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.767 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.52 ' C ' ' H ' ' A' ' 66' ' ' ASP . 9.3 m120 -88.97 24.26 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.62 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.13 24.25 0.71 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 64' ' ' ASN . 52.8 m-20 -58.94 -44.81 91.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.804 0.335 . . . . 0.0 110.628 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.0 -27.12 2.31 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -146.75 132.35 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 110.427 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.515 HG21 HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -92.43 -154.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.103 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.503 ' H ' HG12 ' A' ' 69' ' ' VAL . 49.8 t0 -143.29 138.87 29.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.044 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.42 ' CZ ' ' CD1' ' A' ' 12' ' ' ILE . 33.3 t80 -48.73 -48.03 40.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 110.646 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -51.77 -35.69 44.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.477 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.87 -30.88 59.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.691 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.7 ' O ' HG13 ' A' ' 78' ' ' VAL . 28.7 t80 -64.37 -39.27 93.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.971 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -75.74 -30.99 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.64 -39.12 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.8 pp -78.31 -35.09 48.23 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.983 -178.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 74' ' ' TYR . 28.7 m -60.96 -42.88 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.44 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.479 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -72.98 -39.31 66.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.8 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.36 -27.9 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.366 . . . . 0.0 110.68 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -75.31 -37.43 60.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.8 m -64.91 -54.76 25.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.52 HG23 ' CZ ' ' B' ' 26' ' ' TYR . 3.6 p -49.78 -38.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.707 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.16 -13.49 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.693 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.9 t -97.05 -50.97 4.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.731 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.501 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 0.7 OUTLIER -47.03 -39.35 12.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.64 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -47.22 -24.31 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.599 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.7 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.84 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.789 0.328 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -52.33 -30.83 30.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.672 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.61 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -71.45 -48.37 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.498 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.28 -35.2 80.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 40.6 p -69.37 -34.67 74.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -37.05 66.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.671 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.8 mmm -75.52 -38.51 59.34 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.532 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -54.58 -35.34 63.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.678 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.3 m -58.89 -40.98 86.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.615 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.7 mm? -63.29 -31.38 72.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.474 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.429 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 15.1 mm -70.81 -38.68 73.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -59.88 -55.08 38.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.746 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.57 -37.2 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.676 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -60.77 -46.06 91.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.487 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -77.46 -17.96 57.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.621 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.82 -35.79 64.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.573 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.589 ' CD2' HD13 ' B' ' 36' ' ' LEU . 46.0 m-70 -92.64 -13.17 29.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.637 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 48.2 m -74.83 3.7 7.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.621 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.6 3.73 71.89 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -82.3 -75.26 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.842 0.354 . . . . 0.0 110.683 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -112.71 -42.83 3.54 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.645 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 165.6 3.9 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -86.07 -59.37 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.738 0.304 . . . . 0.0 110.625 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -145.22 -69.62 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.447 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.52 ' CZ ' HG23 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -90.23 -3.54 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.099 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -92.2 146.53 23.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.517 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 tp -144.02 122.16 12.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -62.89 147.94 48.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.433 ' HZ3' HD22 ' B' ' 61' ' ' LEU . 26.3 tptp -68.19 -40.55 82.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.458 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.479 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.82 -37.31 71.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.614 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -81.39 -31.59 33.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.655 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.766 ' O ' HD23 ' B' ' 33' ' ' LEU . 2.6 tt -72.24 -38.96 68.8 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.443 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 10.3 ptmm? -51.42 -40.48 59.43 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.791 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 91.0 mt-10 -79.83 -31.84 40.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.051 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' B' ' 18' ' ' HIS . 31.9 tp -55.45 -56.3 21.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.888 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.658 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.0 pp -50.55 -48.26 57.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.449 -178.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.658 ' N ' HD12 ' B' ' 37' ' ' LEU . 20.5 pt20 -75.12 -25.71 58.66 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.14 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 56.1 m -65.65 -38.54 89.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.09 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.502 ' C ' HD12 ' B' ' 41' ' ' LEU . 63.5 mm-40 -92.13 -26.84 18.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.092 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 41' ' ' LEU . 8.3 mp -114.65 45.11 1.62 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.393 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -68.33 -27.54 66.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.34 -52.27 5.69 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.532 ' C ' ' H ' ' B' ' 46' ' ' ASP . 13.1 m-85 -47.0 -63.88 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.733 0.302 . . . . 0.0 110.91 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.491 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.8 pp -53.95 -4.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.843 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.532 ' H ' ' C ' ' B' ' 44' ' ' PHE . 5.4 t70 -105.63 -20.94 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.684 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.97 -2.84 33.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.039 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.492 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 2.9 pp0? -93.34 139.33 30.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 110.78 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -103.56 -12.26 17.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.483 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.492 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 83.4 m-20 -71.11 98.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.675 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.7 t -71.13 -27.44 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.539 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -73.69 -37.4 65.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.628 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.5 -51.7 67.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.663 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.85 -32.25 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.59 -47.52 81.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.57 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -62.31 -37.25 84.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.505 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 75.6 t -76.19 -30.68 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.64 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.6 ttt -71.86 -51.42 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.461 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -63.3 -31.66 72.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.6 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -53.31 -33.69 54.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.433 HD22 ' HZ3' ' B' ' 30' ' ' LYS . 59.2 mt -62.07 -36.39 81.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.542 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -74.74 -27.7 60.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.81 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -78.34 -41.02 34.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.746 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.527 ' C ' ' H ' ' B' ' 66' ' ' ASP . 9.4 m120 -89.03 24.27 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.576 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.12 24.2 0.71 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' B' ' 64' ' ' ASN . 53.0 m-20 -58.88 -44.75 91.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.677 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 141.76 -26.71 2.37 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -146.85 132.26 18.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.302 . . . . 0.0 110.469 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.528 HG21 HD13 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -93.47 -154.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.018 0.437 . . . . 0.0 110.829 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.505 ' H ' HG12 ' B' ' 69' ' ' VAL . 49.6 t0 -143.07 138.89 30.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.121 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.429 ' CZ ' ' CD1' ' B' ' 12' ' ' ILE . 33.4 t80 -48.61 -48.15 39.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.614 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -51.71 -35.83 44.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.402 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -75.76 -30.95 59.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.703 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.68 ' O ' HG13 ' B' ' 78' ' ' VAL . 28.7 t80 -64.31 -39.3 93.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.948 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.3 m -75.77 -30.95 21.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.66 -39.17 31.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.404 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.8 pp -78.44 -35.02 47.4 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.106 -0.637 . . . . 0.0 111.919 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.68 HG13 ' O ' ' B' ' 74' ' ' TYR . 28.4 m -60.94 -42.89 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.499 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.48 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -73.06 -39.29 66.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.37 -27.78 2.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.683 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -75.43 -37.36 60.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.698 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 86.0 m -64.94 -54.75 25.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.776 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.517 HG23 ' CZ ' ' A' ' 26' ' ' TYR . 3.6 p -49.78 -38.59 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.733 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.97 -13.5 46.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.808 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.9 t -97.05 -50.97 4.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.763 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.509 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 0.7 OUTLIER -47.19 -39.2 13.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.682 -179.776 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -47.2 -24.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.503 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.354 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.853 0.358 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.02 -41.51 98.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.616 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.793 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.9 tm? -60.09 -48.56 81.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.223 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.77 -36.3 80.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.8 m -64.86 -34.98 79.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.479 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.45 -46.72 76.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.652 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.9 mmm -64.02 -41.13 97.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.517 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 22.8 tt0 -53.81 -35.16 61.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.418 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m -59.24 -47.03 86.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.601 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 11' ' ' LEU . 4.0 mm? -53.0 -31.31 40.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.416 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -71.01 -43.57 76.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.7 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 5.1 m-80 -59.99 -55.67 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.906 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 15' ' ' PHE . 13.4 p -59.33 -40.78 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.617 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.48 ' N ' HG13 ' A' ' 14' ' ' VAL . 79.0 t80 -63.26 -42.48 99.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.664 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -76.56 -20.76 56.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.772 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.77 -43.34 55.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.783 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.472 ' CG ' HD13 ' A' ' 36' ' ' LEU . 45.2 m-70 -85.59 -9.15 57.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.825 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 41.0 m -72.42 -20.98 61.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.702 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.9 -14.73 61.43 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -58.58 -108.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.759 0.314 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -78.15 -36.87 47.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.671 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.95 174.19 46.89 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.536 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 20.4 p-10 -86.19 -68.03 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.747 0.308 . . . . 0.0 110.624 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 51.2 mttm -148.17 -50.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.02 -17.27 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.177 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -90.04 143.03 27.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.63 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -140.78 122.98 15.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.411 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.0 p -75.16 144.7 42.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -67.99 -29.53 68.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.419 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -56.55 -44.42 80.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.913 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -80.42 -28.69 37.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.944 0.402 . . . . 0.0 110.614 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.671 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.5 tm? -53.42 -51.14 63.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.01 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 11.2 ptmm? -51.25 -38.06 50.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.792 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.3 mt-10 -78.79 -27.33 44.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.472 HD13 ' CG ' ' A' ' 18' ' ' HIS . 21.9 tp -65.91 -56.25 12.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.752 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.95 -49.48 63.1 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.394 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.689 ' N ' HD12 ' A' ' 37' ' ' LEU . 15.2 pt20 -67.41 -25.82 66.13 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.722 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 30.0 m -75.74 -35.83 60.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.198 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.55 ' C ' HD12 ' A' ' 41' ' ' LEU . 65.8 mm-40 -93.91 -26.85 16.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.355 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.55 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.7 mp -118.44 45.97 1.91 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.854 0.359 . . . . 0.0 110.522 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -68.12 -27.54 66.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.37 -53.44 5.57 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -45.16 -66.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.628 0.251 . . . . 0.0 110.814 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 pp -52.33 -16.71 0.91 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.127 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -80.36 -48.16 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 110.608 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.98 39.24 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.494 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.481 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -102.26 134.59 45.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.653 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -108.95 -6.2 15.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -91.8 104.43 16.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.57 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -80.4 -28.77 11.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.634 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -74.52 -37.48 63.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.735 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.84 -51.19 67.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.691 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 55' ' ' ASP . 15.0 p -64.54 -36.84 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.691 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.414 ' N ' HG13 ' A' ' 54' ' ' VAL . 46.7 t0 -56.95 -47.14 81.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.604 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.56 -37.66 88.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.532 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.68 -30.45 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ttm -70.21 -51.53 30.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.09 -31.68 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.442 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -54.41 -34.43 61.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.99 -36.9 75.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -74.67 -27.88 60.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -69.14 -41.35 77.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.563 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -100.58 33.04 2.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.517 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.51 18.52 4.51 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -51.6 -44.79 62.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 110.436 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.94 -16.54 3.25 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -142.94 132.89 24.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.983 0.421 . . . . 0.0 110.384 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -92.43 -154.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.197 -179.431 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.577 ' H ' HG12 ' A' ' 69' ' ' VAL . 62.6 m-20 -153.09 142.92 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.034 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -48.51 -52.95 19.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.743 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -56.08 -33.34 64.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.695 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.409 ' O ' HD23 ' A' ' 77' ' ' LEU . 72.1 mm-40 -75.72 -30.8 59.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.184 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.559 ' O ' HG13 ' A' ' 78' ' ' VAL . 23.1 t80 -72.1 -40.78 67.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.935 0.398 . . . . 0.0 111.125 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.0 m -74.88 -27.8 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.9 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.26 -39.51 35.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -78.32 -34.68 48.46 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.995 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.8 m -62.44 -43.94 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.417 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.494 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -71.03 -35.85 72.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.811 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.04 -31.65 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.58 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.66 -30.9 59.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.546 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.0 m -69.84 -55.74 8.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.9 p -58.44 -31.05 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.746 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.14 -22.54 66.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.594 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -94.36 -39.31 10.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -54.85 -41.39 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.718 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -47.68 -24.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.631 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 t80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.781 0.324 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.11 -41.43 98.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.791 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.9 tm? -60.09 -48.69 80.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.167 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.68 -36.43 80.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.501 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 25.4 m -64.74 -35.0 79.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.509 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.5 -46.74 76.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.6 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 51.5 mmm -64.02 -41.09 97.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.462 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -53.76 -35.16 60.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.507 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.0 m -59.29 -46.89 87.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.683 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.55 HD22 ' N ' ' B' ' 11' ' ' LEU . 4.0 mm? -53.05 -31.31 40.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.466 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 mm -71.0 -43.64 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.7 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -59.97 -55.66 31.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.486 HG13 ' N ' ' B' ' 15' ' ' PHE . 13.4 p -59.29 -40.77 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.689 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.486 ' N ' HG13 ' B' ' 14' ' ' VAL . 78.9 t80 -63.37 -42.33 98.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.651 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -76.53 -20.82 56.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.766 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.72 -43.33 55.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.804 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.46 ' CG ' HD13 ' B' ' 36' ' ' LEU . 45.7 m-70 -85.55 -9.09 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.921 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.8 m -72.49 -21.09 61.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.619 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.84 -14.8 61.41 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -58.62 -108.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.682 0.277 . . . . 0.0 110.464 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -78.13 -36.87 47.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.66 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.92 174.27 46.7 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.534 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 20.0 p-10 -86.19 -68.07 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.33 . . . . 0.0 110.562 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.534 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 51.1 mttm -148.16 -50.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.621 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.03 -17.31 22.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.195 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -89.89 143.05 27.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.741 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.3 tp -140.82 123.02 15.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.9 p -75.25 144.84 42.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.004 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -68.12 -29.54 68.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.328 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -56.46 -44.62 80.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.837 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -80.46 -28.41 37.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.915 0.388 . . . . 0.0 110.69 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.668 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.5 tm? -53.5 -51.29 63.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.913 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 11.2 ptmm? -51.22 -37.99 49.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.745 0.307 . . . . 0.0 110.692 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.421 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 96.3 mt-10 -78.89 -27.23 43.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.736 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.46 HD13 ' CG ' ' B' ' 18' ' ' HIS . 21.9 tp -66.04 -56.1 13.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.757 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.693 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -52.14 -49.45 63.68 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.419 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.693 ' N ' HD12 ' B' ' 37' ' ' LEU . 15.2 pt20 -67.42 -25.62 66.02 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.824 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 29.5 m -75.83 -35.87 59.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.561 ' C ' HD12 ' B' ' 41' ' ' LEU . 65.7 mm-40 -93.85 -26.83 16.75 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.343 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.561 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.7 mp -118.37 45.93 1.91 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.774 0.321 . . . . 0.0 110.415 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 84.7 p -68.37 -27.24 66.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.46 -53.44 5.53 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.344 -0.703 . . . . 0.0 111.344 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -45.3 -66.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.862 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -52.19 -16.9 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.165 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -80.3 -48.21 13.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.675 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.87 39.41 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.449 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.485 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -102.4 134.57 45.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.568 -179.781 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -108.93 -6.3 15.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.469 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -91.65 104.41 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 68.5 t -80.36 -28.87 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.638 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -74.57 -37.38 62.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.69 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.81 -51.22 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.424 HG13 ' N ' ' B' ' 55' ' ' ASP . 15.0 p -64.63 -36.7 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.693 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.424 ' N ' HG13 ' B' ' 54' ' ' VAL . 46.6 t0 -57.04 -47.05 81.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.62 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -63.56 -37.73 88.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.549 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 87.7 t -74.54 -30.57 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.66 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ttm -70.25 -51.43 30.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -31.66 72.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.543 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -54.46 -34.4 61.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.557 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.02 -36.71 75.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -74.81 -27.8 60.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.629 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.19 -41.48 77.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.392 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -100.4 32.84 2.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.474 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.27 18.4 4.34 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -51.54 -44.76 62.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 139.1 -17.35 3.18 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -141.62 133.28 27.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.565 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -93.58 -154.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.994 -179.457 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.565 ' H ' HG12 ' B' ' 69' ' ' VAL . 62.6 m-20 -153.19 143.05 22.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.036 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -48.61 -53.02 20.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.783 0.325 . . . . 0.0 110.681 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -55.93 -33.46 64.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.771 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.411 ' O ' HD23 ' B' ' 77' ' ' LEU . 72.3 mm-40 -75.75 -30.72 59.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.159 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.562 ' O ' HG13 ' B' ' 78' ' ' VAL . 23.0 t80 -72.13 -40.72 67.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.833 0.349 . . . . 0.0 111.106 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.6 m -74.91 -27.68 20.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.022 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.25 -39.55 35.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.419 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -78.35 -34.64 48.32 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.978 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.562 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.8 m -62.4 -44.13 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.409 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.498 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -70.86 -35.81 72.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.08 -31.67 52.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.586 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -75.51 -31.16 60.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.475 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -69.85 -55.77 8.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.8 p -58.23 -31.18 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.15 -22.46 66.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.618 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -94.29 -39.36 10.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.614 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -54.93 -41.34 70.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.716 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -47.73 -24.38 0.93 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.712 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.834 0.35 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.72 -34.39 74.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.613 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.782 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.9 tm? -56.72 -48.46 77.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.03 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.52 -33.13 74.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.317 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.4 m -67.58 -35.12 78.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.487 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.33 -45.55 80.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.466 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.8 mmm -64.31 -37.12 86.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.371 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -55.31 -38.52 68.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.5 m -57.28 -43.83 83.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.664 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.575 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -57.16 -31.17 65.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.547 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.5 mm -70.58 -41.77 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.732 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -62.02 -55.56 27.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.1 p -62.24 -38.08 80.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.679 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.439 ' N ' HG13 ' A' ' 14' ' ' VAL . 93.2 t80 -61.94 -38.0 86.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.725 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -88.73 -18.05 28.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.777 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.67 -35.53 77.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.779 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.526 ' CD2' HD13 ' A' ' 36' ' ' LEU . 57.1 m-70 -93.59 -7.75 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.755 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.472 ' O ' ' O ' ' A' ' 23' ' ' GLY . 69.7 m -74.41 -10.43 59.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.77 -17.72 79.59 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -55.38 -73.57 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 110.647 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -117.16 -56.37 2.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 19' ' ' SER . . . -52.64 158.93 3.4 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -71.77 -64.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.616 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -145.58 -72.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.435 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -77.47 -5.89 51.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.267 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -94.81 138.69 32.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -143.8 123.83 13.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.264 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.4 p -68.81 142.65 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.499 ' HZ1' ' HB2' ' A' ' 64' ' ' ASN . 33.2 tptt -66.65 -32.49 73.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.478 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -57.54 -42.73 83.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.666 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -80.77 -28.24 36.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.014 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.777 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.2 tm? -60.84 -51.32 69.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.762 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -51.82 -34.76 41.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.636 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -78.65 -27.29 45.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.517 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.526 HD13 ' CD2' ' A' ' 18' ' ' HIS . 19.6 tp -72.43 -56.25 5.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.368 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.712 ' C ' HD12 ' A' ' 37' ' ' LEU . 1.4 pp -50.84 -39.83 54.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.285 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.548 ' N ' HD12 ' A' ' 37' ' ' LEU . 9.6 pt20 -76.97 -25.99 53.41 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.03 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.5 m -75.85 -37.34 59.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.45 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -88.07 -26.98 22.25 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.411 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.33 44.41 2.46 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.847 0.356 . . . . 0.0 110.342 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.492 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 52.0 p -68.43 -27.92 66.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.76 -50.6 10.88 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.406 ' C ' ' H ' ' A' ' 46' ' ' ASP . 19.1 m-85 -49.45 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.587 0.232 . . . . 0.0 110.869 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.82 -8.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.319 . . . . 0.0 110.772 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' OD2' ' O ' ' A' ' 42' ' ' SER . 29.9 m-20 -105.8 -11.4 16.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.589 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.56 -2.97 14.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.571 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.3 pp0? -101.15 133.93 44.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.619 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -94.92 -9.75 33.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.571 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 49.9 m-20 -68.01 102.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.5 t -79.4 -29.74 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -71.36 -36.93 71.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.674 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.16 -51.45 67.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.762 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.1 -31.85 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.695 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -55.18 -48.26 74.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.743 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.55 -36.08 81.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.611 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.5 t -73.75 -30.56 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.685 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.2 ttt -74.3 -51.65 14.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.753 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -62.09 -32.49 73.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.55 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.436 ' C ' ' OE1' ' A' ' 60' ' ' GLU . 13.6 tm-20 -55.66 -33.67 64.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.42 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.9 mt -60.88 -37.44 82.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.562 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.87 -28.64 60.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.684 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -75.9 -40.96 53.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.498 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.499 ' HB2' ' HZ1' ' A' ' 30' ' ' LYS . 4.5 m120 -94.31 44.33 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.522 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -83.26 7.02 69.2 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' GLY . 51.0 t0 -36.94 -28.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.441 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 111.03 -11.23 29.34 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -144.18 132.21 21.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.978 0.418 . . . . 0.0 110.608 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.605 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.82 -154.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.329 -179.842 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.605 ' H ' HG12 ' A' ' 69' ' ' VAL . 70.0 m-20 -152.61 142.35 21.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.966 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -49.11 -49.07 43.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.759 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -58.52 -33.62 70.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.435 ' O ' HD23 ' A' ' 77' ' ' LEU . 68.1 mm-40 -73.59 -30.94 63.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.091 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.553 ' O ' HG13 ' A' ' 78' ' ' VAL . 16.1 t80 -69.06 -42.67 75.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.929 0.395 . . . . 0.0 111.132 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.4 m -75.14 -28.0 20.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -39.6 32.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 73' ' ' GLU . 2.5 pp -77.9 -35.04 51.14 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.071 -0.651 . . . . 0.0 111.923 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 74' ' ' TYR . 30.7 m -61.71 -43.33 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.624 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.474 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -68.97 -40.98 78.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.921 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.34 -30.77 19.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.652 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.38 -33.79 61.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.632 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.7 m -68.46 -55.41 11.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.896 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -53.36 -29.68 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.752 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.67 -26.59 67.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.655 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.7 t -91.1 -53.28 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.775 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -48.98 -38.11 22.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.76 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -54.5 -24.5 20.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.694 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.773 -179.909 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.791 0.329 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.71 -34.25 74.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.627 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.788 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.9 tm? -56.84 -48.4 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.32 -33.26 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.466 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 27.6 m -67.62 -35.02 78.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.461 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.4 -45.55 80.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.7 mmm -64.34 -37.12 86.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.312 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -55.26 -38.56 68.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.5 m -57.25 -43.83 83.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.652 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.555 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -57.33 -31.15 65.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.434 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -70.45 -41.89 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -61.89 -55.47 29.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.431 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.2 p -62.31 -38.14 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.695 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.431 ' N ' HG13 ' B' ' 14' ' ' VAL . 93.3 t80 -62.0 -37.87 86.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.719 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -88.91 -17.94 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.763 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.65 -35.53 77.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.711 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.526 ' CD2' HD13 ' B' ' 36' ' ' LEU . 57.5 m-70 -93.68 -7.67 43.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.729 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.46 ' O ' ' O ' ' B' ' 23' ' ' GLY . 68.8 m -74.49 -10.32 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.614 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.85 -17.64 79.64 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -55.41 -73.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.643 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -117.28 -56.35 2.24 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.514 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' B' ' 19' ' ' SER . . . -52.69 158.93 3.44 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -71.81 -64.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.561 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -145.6 -72.52 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.466 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -77.54 -5.97 51.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.259 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -94.74 138.67 32.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.591 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -143.68 123.85 13.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.226 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.9 p -68.75 142.52 54.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.419 ' HZ1' ' HB2' ' B' ' 64' ' ' ASN . 33.4 tptt -66.46 -32.61 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.434 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -57.52 -42.76 83.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.683 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -80.64 -28.34 36.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.06 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.766 HD13 ' C ' ' B' ' 33' ' ' LEU . 3.2 tm? -60.78 -51.32 69.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.785 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -51.83 -34.86 42.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.572 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -78.66 -27.3 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.47 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.526 HD13 ' CD2' ' B' ' 18' ' ' HIS . 19.8 tp -72.32 -56.25 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.449 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.72 ' C ' HD12 ' B' ' 37' ' ' LEU . 1.4 pp -50.9 -39.8 55.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.171 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.556 ' N ' HD12 ' B' ' 37' ' ' LEU . 9.6 pt20 -77.01 -25.9 53.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 111.081 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 50.3 m -75.97 -37.19 58.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.418 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -88.2 -26.97 22.11 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.344 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.28 44.29 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.294 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.492 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 51.9 p -68.28 -27.94 66.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.748 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.85 -50.43 11.12 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.422 ' C ' ' H ' ' B' ' 46' ' ' ASP . 19.3 m-85 -49.44 -65.35 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.643 0.258 . . . . 0.0 110.907 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.84 -8.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.758 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.492 ' OD2' ' O ' ' B' ' 42' ' ' SER . 29.9 m-20 -105.78 -11.44 16.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.614 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.65 -2.94 14.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.57 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.3 pp0? -101.11 134.01 44.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.619 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -95.0 -9.67 33.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.608 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.57 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 50.0 m-20 -68.1 102.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.582 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -79.36 -29.72 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.657 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -71.28 -36.99 71.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.33 68.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.742 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.12 -31.96 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.589 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -55.14 -48.22 73.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.54 -36.02 81.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.657 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.84 -30.44 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.716 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.3 ttt -74.31 -51.73 14.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.72 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -62.21 -32.3 72.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.584 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.441 ' OE1' ' C ' ' B' ' 60' ' ' GLU . 13.7 tm-20 -55.82 -33.56 64.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.38 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.99 -37.39 82.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.558 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -74.85 -28.54 60.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.75 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -75.95 -41.06 52.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.399 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.419 ' HB2' ' HZ1' ' B' ' 30' ' ' LYS . 4.5 m120 -94.28 44.4 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.064 0.459 . . . . 0.0 110.602 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -83.18 6.77 70.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' B' ' 65' ' ' GLY . 51.0 t0 -36.93 -28.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.396 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 110.95 -11.44 29.49 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -143.68 132.54 22.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.6 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.589 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.7 OUTLIER -94.41 -153.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.045 -179.565 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.589 ' H ' HG12 ' B' ' 69' ' ' VAL . 70.1 m-20 -152.66 142.35 21.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.994 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -49.0 -49.27 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.71 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -58.44 -33.67 69.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.43 ' O ' HD23 ' B' ' 77' ' ' LEU . 68.4 mm-40 -73.42 -30.94 63.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.211 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.553 ' O ' HG13 ' B' ' 78' ' ' VAL . 15.8 t80 -69.27 -42.67 75.23 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.878 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.9 m -75.22 -27.93 20.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.68 -39.51 31.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 N-CA-C 112.567 0.581 . . . . 0.0 112.567 -178.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.43 HD23 ' O ' ' B' ' 73' ' ' GLU . 2.5 pp -77.88 -35.2 51.12 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.906 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.553 HG13 ' O ' ' B' ' 74' ' ' TYR . 31.6 m -61.59 -43.28 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.664 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.477 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -69.26 -40.81 77.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.32 -30.76 19.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.704 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.49 -33.72 60.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.634 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 78.5 m -68.54 -55.52 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.7 p -53.27 -29.72 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.662 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.58 -26.69 67.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.658 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -90.88 -53.4 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -49.03 -38.08 22.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.77 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -54.44 -24.35 19.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.817 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 51.6 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.846 -179.873 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.69 0.281 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -53.59 -36.44 61.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.798 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.8 tm? -60.59 -48.18 82.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.219 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.04 -34.33 77.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.6 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 m -65.43 -34.79 79.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.04 -44.41 82.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.503 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.5 mmm -64.83 -40.89 95.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.529 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -54.19 -33.95 59.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.543 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.6 m -60.63 -45.88 92.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.697 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -54.8 -31.16 58.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.512 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 mm -71.43 -43.25 72.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.673 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -59.83 -55.55 32.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.699 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.3 -35.19 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.498 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -61.02 -51.76 67.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.667 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -72.93 -19.9 61.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.662 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.42 84.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.656 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.64 ' CD2' HD13 ' A' ' 36' ' ' LEU . 55.0 m-70 -93.75 -14.67 25.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.75 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.6 m -63.88 -21.09 66.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.616 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.21 -17.81 77.64 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -57.47 -46.76 83.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.588 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' GLY . 68.3 mm-40 -145.72 -64.95 0.32 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 22' ' ' GLU . . . -36.22 145.39 0.08 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -57.2 -57.24 13.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 0.0 110.575 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -154.47 -71.85 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.638 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.13 -19.07 40.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.242 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -80.03 151.97 29.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.589 HD23 HD12 ' A' ' 33' ' ' LEU . 19.9 tp -150.6 118.85 6.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.445 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.44 151.24 44.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.249 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.58 ' NZ ' HD23 ' A' ' 61' ' ' LEU . 42.3 tptt -69.1 -34.34 74.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.29 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -57.21 -39.99 76.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.609 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -81.69 -37.87 26.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.49 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.589 HD12 HD23 ' A' ' 28' ' ' LEU . 6.0 tt -65.88 -42.63 90.07 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.732 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 16.5 ptmt -52.35 -40.0 61.4 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.684 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 96.4 mt-10 -80.01 -29.11 39.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.948 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.64 HD13 ' CD2' ' A' ' 18' ' ' HIS . 34.9 tp -58.24 -54.29 48.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.872 -178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.0 pp -50.47 -48.2 56.72 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.322 -178.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.666 ' N ' HD12 ' A' ' 37' ' ' LEU . 10.2 pt20 -73.46 -25.83 60.66 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.944 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 95.4 m -70.76 -35.16 72.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.145 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.575 ' C ' HD12 ' A' ' 41' ' ' LEU . 52.6 mm-40 -91.85 -26.89 18.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.244 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.575 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.7 mp -113.25 46.87 1.19 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.544 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.411 ' HA ' HD21 ' A' ' 45' ' ' LEU . 32.3 t -68.33 -27.3 66.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.12 -49.74 9.26 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.526 ' C ' ' H ' ' A' ' 46' ' ' ASP . 22.1 m-85 -52.69 -62.78 1.43 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.776 0.322 . . . . 0.0 110.971 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.744 HD12 ' C ' ' A' ' 45' ' ' LEU . 3.8 pp -52.27 -6.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.942 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.631 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.9 t0 -95.16 -39.67 9.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.493 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.16 34.69 2.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.262 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.479 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -98.45 134.27 41.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.644 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -106.74 -12.25 15.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.495 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -92.4 106.08 18.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.617 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.57 -26.11 7.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.482 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -75.52 -31.98 60.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.674 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.38 -51.53 43.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.721 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.34 -33.34 63.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.695 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.73 -49.29 78.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -61.45 -36.76 81.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.451 HG11 HD21 ' A' ' 81' ' ' LEU . 95.2 t -76.86 -30.62 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.759 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.2 ttt -73.71 -51.13 17.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.498 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -62.43 -32.81 73.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.611 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -56.13 -30.89 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.394 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.58 HD23 ' NZ ' ' A' ' 30' ' ' LYS . 37.0 mt -62.46 -39.22 92.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.509 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.09 -28.91 64.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.714 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -74.13 -35.52 64.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.532 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' A' ' 66' ' ' ASP . 3.4 m120 -94.97 28.21 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.598 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.88 17.58 2.75 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 64' ' ' ASN . 94.8 m-20 -49.8 -43.98 48.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.522 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.7 -16.91 3.51 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -148.76 132.08 16.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.919 0.39 . . . . 0.0 110.613 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.59 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.4 OUTLIER -92.55 -154.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.537 0.684 . . . . 0.0 111.294 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.59 ' H ' HG12 ' A' ' 69' ' ' VAL . 47.3 m-20 -147.14 133.15 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.305 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -48.1 -44.48 31.82 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.454 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.428 ' O ' HG22 ' A' ' 75' ' ' VAL . 99.4 mt-30 -54.83 -37.13 65.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 109.981 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -75.85 -30.72 59.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.544 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.724 ' O ' HG13 ' A' ' 78' ' ' VAL . 61.9 t80 -63.63 -39.08 93.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 72' ' ' GLN . 28.4 m -75.74 -31.11 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.72 -39.44 31.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.47 -33.68 48.16 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.146 -0.622 . . . . 0.0 112.0 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 74' ' ' TYR . 26.9 m -63.31 -43.26 98.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.434 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.495 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -71.62 -36.42 70.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.744 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.21 -32.39 10.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.587 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.451 HD21 HG11 ' A' ' 57' ' ' VAL . 70.5 mt -75.12 -33.35 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.409 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 98.7 m -71.58 -55.2 8.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.61 -25.07 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.07 32.16 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.568 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.0 t -147.57 -53.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -55.94 -31.59 63.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -44.36 -26.55 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.455 -179.8 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.825 0.345 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -53.62 -36.45 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.642 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.796 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.8 tm? -60.36 -48.3 82.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.98 -34.39 77.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.583 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.8 m -65.34 -34.98 79.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.74 -44.51 81.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.6 mmm -64.96 -40.84 95.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.451 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -54.13 -34.03 59.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.9 m -60.71 -45.77 92.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.707 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.53 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -54.65 -31.29 57.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.522 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 mm -71.39 -43.16 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.777 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -59.92 -55.52 33.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.667 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 p -60.31 -35.04 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.511 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -61.08 -51.84 67.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -72.87 -19.91 61.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.707 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.24 84.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.624 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.644 ' CD2' HD13 ' B' ' 36' ' ' LEU . 54.9 m-70 -93.89 -14.74 25.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.679 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 45.3 m -63.8 -21.13 66.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.571 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.26 -17.67 77.62 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -57.58 -46.72 83.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.754 0.311 . . . . 0.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' B' ' 23' ' ' GLY . 68.2 mm-40 -145.69 -65.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' B' ' 22' ' ' GLU . . . -36.22 145.42 0.08 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -57.33 -57.08 14.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.775 0.322 . . . . 0.0 110.655 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -154.51 -71.83 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.623 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.07 -19.22 40.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.288 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -79.99 151.92 29.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.551 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.585 HD23 HD12 ' B' ' 33' ' ' LEU . 19.9 tp -150.65 118.8 6.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.438 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.43 151.17 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.215 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' HD23 ' B' ' 61' ' ' LEU . 42.4 tptt -68.97 -34.44 75.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.275 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -57.14 -40.0 76.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.623 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -81.72 -37.85 26.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.475 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.585 HD12 HD23 ' B' ' 28' ' ' LEU . 6.0 tt -65.84 -42.86 90.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.7 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 16.5 ptmt -52.32 -39.9 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.687 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.42 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 96.4 mt-10 -80.07 -29.0 39.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.644 HD13 ' CD2' ' B' ' 18' ' ' HIS . 35.0 tp -58.3 -54.16 50.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.963 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.66 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.0 pp -50.47 -48.24 56.7 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.341 -178.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.66 ' N ' HD12 ' B' ' 37' ' ' LEU . 10.2 pt20 -73.54 -25.76 60.55 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.96 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 95.8 m -70.86 -35.03 72.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.062 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.577 ' C ' HD12 ' B' ' 41' ' ' LEU . 52.1 mm-40 -92.0 -26.67 18.26 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.3 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.577 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.7 mp -113.29 46.9 1.19 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.809 0.338 . . . . 0.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.418 ' HA ' HD21 ' B' ' 45' ' ' LEU . 32.5 t -68.56 -27.18 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.15 -49.71 9.26 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.52 ' C ' ' H ' ' B' ' 46' ' ' ASP . 22.1 m-85 -52.76 -62.68 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 111.025 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.74 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.8 pp -52.37 -6.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.971 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.644 ' N ' HD12 ' B' ' 45' ' ' LEU . 11.1 t0 -95.11 -39.8 9.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.5 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.07 34.7 2.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.359 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.481 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -98.44 134.38 41.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.654 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -106.75 -12.18 15.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.51 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -92.43 106.0 18.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.559 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -83.32 -26.3 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -75.5 -31.95 60.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.68 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.31 -51.61 42.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.725 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.31 -33.38 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.706 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.65 -49.28 78.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.63 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -61.55 -36.69 81.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.435 HG11 HD21 ' B' ' 81' ' ' LEU . 94.4 t -76.89 -30.61 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.1 ttt -73.7 -51.14 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.493 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -62.43 -32.96 73.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -56.09 -30.72 62.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.508 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.572 HD23 ' NZ ' ' B' ' 30' ' ' LYS . 37.9 mt -62.56 -39.25 93.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.438 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.04 -28.92 64.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.655 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -74.18 -35.49 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.429 ' C ' ' H ' ' B' ' 66' ' ' ASP . 3.4 m120 -94.99 28.27 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.521 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.94 17.65 2.76 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' B' ' 64' ' ' ASN . 94.9 m-20 -49.86 -43.84 49.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.507 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.52 -16.76 3.55 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -148.8 131.95 16.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 110.64 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.57 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.5 OUTLIER -93.5 -154.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.471 0.653 . . . . 0.0 111.071 -179.706 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.57 ' H ' HG12 ' B' ' 69' ' ' VAL . 47.5 m-20 -147.29 133.11 19.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.362 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -48.02 -44.59 31.04 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.461 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG22 ' B' ' 75' ' ' VAL . 99.4 mt-30 -54.58 -37.32 65.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.407 . . . . 0.0 109.947 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -75.95 -30.56 58.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.535 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.735 ' O ' HG13 ' B' ' 78' ' ' VAL . 61.8 t80 -63.63 -39.09 93.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.757 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 72' ' ' GLN . 28.6 m -75.81 -31.04 21.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.77 -39.49 31.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 pp -78.54 -33.55 47.8 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.078 -0.649 . . . . 0.0 112.0 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.735 HG13 ' O ' ' B' ' 74' ' ' TYR . 26.9 m -63.4 -43.29 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.388 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.499 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -71.5 -36.7 71.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.693 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.19 -32.26 10.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.555 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.435 HD21 HG11 ' B' ' 57' ' ' VAL . 70.5 mt -75.32 -33.08 61.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.521 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.4 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 99.1 m -71.82 -55.13 8.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.628 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.6 -24.96 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.671 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.14 32.2 0.55 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.537 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.1 t -147.58 -53.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.554 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -55.97 -31.49 63.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.67 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -44.39 -26.65 0.36 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.587 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.4 t80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.607 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.77 0.319 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.44 -38.23 90.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.787 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.7 tm? -62.61 -47.61 83.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.344 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.76 -32.49 71.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.532 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.3 m -66.87 -37.11 83.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.545 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.45 -43.84 75.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.3 mmm -66.67 -38.13 86.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.415 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -53.97 -36.6 63.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.4 m -58.32 -45.6 87.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.781 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 11' ' ' LEU . 4.0 mm? -54.36 -31.23 54.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.441 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.5 mm -70.45 -44.1 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -59.99 -55.72 30.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.826 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 15' ' ' PHE . 11.7 p -61.6 -41.19 89.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.547 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.511 ' N ' HG13 ' A' ' 14' ' ' VAL . 74.8 t80 -60.07 -48.29 82.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.67 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -73.41 -19.04 61.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.691 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.8 -42.65 70.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.717 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.676 ' CD2' HD13 ' A' ' 36' ' ' LEU . 78.1 m-70 -84.35 -27.48 27.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.695 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 m -65.36 -14.79 61.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.602 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.1 1.82 30.74 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -74.79 -106.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.641 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -82.53 -27.86 31.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.679 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.95 174.77 48.64 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -87.15 -72.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.33 . . . . 0.0 110.544 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -144.19 -48.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.408 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -99.7 -4.59 30.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.352 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -95.17 129.76 42.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.471 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 tp -124.81 114.96 19.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 m -59.42 151.9 22.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.037 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HZ1' ' CD2' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -69.02 -38.87 79.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.574 179.7 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.12 -44.27 83.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.468 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -76.6 -28.24 56.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.82 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.766 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.8 tm? -64.51 -54.66 28.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.758 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' N ' HD13 ' A' ' 33' ' ' LEU . 17.1 ptmt -57.27 -38.19 73.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.816 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -78.94 -27.23 43.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.676 HD13 ' CD2' ' A' ' 18' ' ' HIS . 21.5 tp -62.63 -55.4 27.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.902 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -50.75 -49.4 58.02 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.499 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.684 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.3 pt20 -66.34 -25.56 66.87 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.048 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.7 m -76.93 -38.28 53.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.383 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -93.5 -27.02 16.91 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.376 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.63 46.86 1.83 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.807 0.337 . . . . 0.0 110.349 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.24 -28.89 67.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.64 -53.53 6.49 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.431 ' CE1' HG23 ' A' ' 82' ' ' THR . 19.6 m-85 -45.7 -64.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.586 0.232 . . . . 0.0 111.0 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 pp -55.27 -10.05 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 0.0 111.078 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -101.32 -11.37 19.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.761 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.81 -2.93 15.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.948 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.547 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.4 pp0? -99.7 139.44 35.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.696 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -105.17 -12.15 16.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.591 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.547 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 84.9 m-20 -61.36 105.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.588 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.2 t -77.67 -35.68 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -69.54 -34.68 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.815 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.77 -51.49 61.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.713 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.04 -32.32 53.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.584 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.62 -46.07 91.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.557 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -65.44 -38.33 89.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.526 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.467 HG11 HD21 ' A' ' 81' ' ' LEU . 96.3 t -74.61 -30.44 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.8 ttt -71.52 -51.41 23.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.406 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -64.88 -33.6 76.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.657 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -53.6 -31.06 45.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.554 ' CD2' ' HZ1' ' A' ' 30' ' ' LYS . 21.1 mt -64.42 -35.82 82.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.504 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.34 -27.63 61.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.609 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.89 -37.27 75.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.468 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.571 ' C ' ' H ' ' A' ' 66' ' ' ASP . 31.3 m-80 -90.33 24.61 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.749 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . -50.0 -5.77 0.07 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' A' ' 64' ' ' ASN . 57.3 t0 -35.07 -40.15 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.814 0.34 . . . . 0.0 110.641 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.48 -3.25 11.19 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -169.28 133.79 1.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.912 0.387 . . . . 0.0 110.808 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.573 HG11 ' HG ' ' A' ' 33' ' ' LEU . 28.2 m -91.73 -170.09 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.894 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -124.77 151.98 44.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.893 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -48.56 -48.6 38.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.856 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -57.03 -33.83 67.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.698 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.423 ' O ' HD23 ' A' ' 77' ' ' LEU . 77.5 mm-40 -75.6 -30.81 59.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.71 ' O ' HG13 ' A' ' 78' ' ' VAL . 29.9 t80 -68.51 -40.06 81.0 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.108 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.8 m -75.5 -28.86 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.8 -40.34 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 73' ' ' GLU . 2.6 pp -78.34 -35.3 47.75 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.075 -178.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.9 m -59.66 -41.27 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.461 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -75.01 -40.47 60.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.715 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.42 -30.57 2.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.467 HD21 HG11 ' A' ' 57' ' ' VAL . 76.8 mt -75.4 -38.64 59.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.656 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.431 HG23 ' CE1' ' A' ' 44' ' ' PHE . 95.7 m -63.86 -54.95 26.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.748 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.455 ' C ' ' H ' ' A' ' 85' ' ' CYS . 7.4 p -52.04 -36.43 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.722 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.29 30.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.455 ' H ' ' C ' ' A' ' 83' ' ' VAL . 47.3 t -149.49 -55.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.61 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 88' ' ' PHE . 89.4 m-20 -52.92 -36.41 59.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.565 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -40.4 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 86' ' ' ASN . 46.6 t80 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.684 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.828 0.347 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.47 -38.16 90.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.497 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.794 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.7 tm? -62.68 -47.57 83.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.318 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.79 -32.47 71.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 39.3 m -66.87 -37.08 83.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.606 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.52 -43.84 76.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.547 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 61.0 mmm -66.62 -38.19 86.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.41 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -54.0 -36.54 63.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.516 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.7 m -58.36 -45.57 87.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.737 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.558 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -54.42 -31.27 54.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.41 -43.99 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.734 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -60.09 -55.63 31.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.882 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.5 HG13 ' N ' ' B' ' 15' ' ' PHE . 11.6 p -61.62 -41.06 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.68 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.5 ' N ' HG13 ' B' ' 14' ' ' VAL . 75.2 t80 -60.07 -48.36 82.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.688 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -73.27 -19.21 61.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.634 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.81 -42.49 70.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.782 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.672 ' CD2' HD13 ' B' ' 36' ' ' LEU . 78.1 m-70 -84.45 -27.55 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 16.3 m -65.27 -14.67 61.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.16 1.77 31.54 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -74.78 -106.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.724 0.297 . . . . 0.0 110.675 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -82.57 -27.74 31.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.682 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.88 174.74 48.49 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -87.07 -72.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 110.545 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -144.14 -48.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -99.7 -4.5 30.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.461 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -95.22 129.72 42.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.499 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 tp -124.74 114.92 19.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 5.8 m -59.25 151.77 22.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.063 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.525 ' HZ1' ' CD2' ' B' ' 61' ' ' LEU . 0.1 OUTLIER -69.0 -38.82 79.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.618 179.661 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.482 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.05 -44.39 82.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.954 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -76.3 -28.49 56.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.83 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.763 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.8 tm? -64.35 -54.85 26.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.698 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.452 ' N ' HD13 ' B' ' 33' ' ' LEU . 17.0 ptmt -57.11 -38.2 73.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.85 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -79.17 -26.98 42.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.672 HD13 ' CD2' ' B' ' 18' ' ' HIS . 21.4 tp -62.8 -55.35 27.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.812 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.694 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -50.75 -49.38 58.11 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.517 -178.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.694 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.3 pt20 -66.34 -25.53 66.86 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.05 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 41.7 m -76.94 -38.43 53.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.244 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -93.47 -26.89 16.99 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.379 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.65 46.86 1.83 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.875 0.369 . . . . 0.0 110.462 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.21 -28.78 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.77 -53.52 6.39 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.43 ' CE1' HG23 ' B' ' 82' ' ' THR . 19.3 m-85 -45.66 -64.33 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.597 0.237 . . . . 0.0 111.0 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 pp -55.29 -10.0 0.52 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.781 0.324 . . . . 0.0 111.035 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -101.29 -11.41 19.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.808 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.84 -2.88 15.08 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.538 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.4 pp0? -99.79 139.45 35.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.659 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -105.21 -12.16 16.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.488 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.538 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 85.1 m-20 -61.47 105.54 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.522 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 75.7 t -77.76 -35.47 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.696 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -69.65 -34.75 74.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.709 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.67 -51.51 62.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.752 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.95 -32.38 54.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.589 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.61 -46.08 91.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.612 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -65.46 -38.28 89.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.538 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.477 HG11 HD21 ' B' ' 81' ' ' LEU . 96.5 t -74.67 -30.3 24.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.573 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.8 ttt -71.67 -51.38 23.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.456 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -64.75 -33.74 76.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -53.56 -30.98 44.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.558 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.525 ' CD2' ' HZ1' ' B' ' 30' ' ' LYS . 21.0 mt -64.54 -35.77 82.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.467 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -73.37 -27.56 61.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.653 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.0 -37.2 75.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.555 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.556 ' C ' ' H ' ' B' ' 66' ' ' ASP . 31.1 m-80 -90.29 24.72 2.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.811 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' B' ' 66' ' ' ASP . . . -50.05 -5.86 0.08 OUTLIER Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.556 ' H ' ' C ' ' B' ' 64' ' ' ASN . 57.0 t0 -34.98 -40.12 0.11 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.717 0.294 . . . . 0.0 110.742 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.43 -3.16 11.25 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -169.27 133.98 1.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.567 HG11 ' HG ' ' B' ' 33' ' ' LEU . 27.1 m -92.44 -170.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.666 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -124.51 151.92 44.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.045 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -48.54 -48.66 38.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -56.88 -34.01 67.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.363 . . . . 0.0 110.73 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.417 ' O ' HD23 ' B' ' 77' ' ' LEU . 77.6 mm-40 -75.49 -30.8 59.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.693 ' O ' HG13 ' B' ' 78' ' ' VAL . 30.0 t80 -68.46 -40.09 81.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.137 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.52 -28.79 20.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.89 -40.48 31.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.417 HD23 ' O ' ' B' ' 73' ' ' GLU . 2.6 pp -78.36 -35.06 47.92 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.191 -0.604 . . . . 0.0 112.104 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.693 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.9 m -59.84 -41.18 84.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.375 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.464 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -75.01 -40.58 60.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.665 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.44 -30.44 2.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.741 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.477 HD21 HG11 ' B' ' 57' ' ' VAL . 76.8 mt -75.48 -38.64 59.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.617 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.43 HG23 ' CE1' ' B' ' 44' ' ' PHE . 95.1 m -63.96 -54.75 29.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.455 ' C ' ' H ' ' B' ' 85' ' ' CYS . 7.4 p -52.22 -36.36 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.661 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.31 30.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.455 ' H ' ' C ' ' B' ' 83' ' ' VAL . 47.1 t -149.52 -55.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.666 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' B' ' 88' ' ' PHE . 89.4 m-20 -52.86 -36.56 59.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.604 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -40.44 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' B' ' 86' ' ' ASN . 46.7 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.612 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.85 0.357 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -55.15 -31.76 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.721 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -56.13 -48.45 76.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.405 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -65.42 -34.43 78.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.509 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.0 p -69.37 -34.66 74.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.774 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.93 -38.38 67.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.516 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.6 mmm -76.8 -33.25 58.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.959 0.409 . . . . 0.0 110.398 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -57.07 -37.43 71.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.752 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.0 m -58.84 -40.53 84.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.595 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -61.2 -31.16 70.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.588 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.4 mm -69.92 -41.71 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -61.17 -55.62 30.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.12 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 15' ' ' PHE . 14.8 p -59.86 -37.86 73.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.824 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' N ' HG13 ' A' ' 14' ' ' VAL . 69.1 t80 -60.61 -40.61 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -82.29 -17.69 44.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.7 -35.42 57.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.785 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.637 ' CD2' HD13 ' A' ' 36' ' ' LEU . 57.7 m-70 -92.61 -12.56 31.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.828 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.0 m -76.96 9.04 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.81 0.338 . . . . 0.0 110.673 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.39 0.1 53.64 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -63.46 -52.04 63.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.68 0.276 . . . . 0.0 110.733 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -149.49 -44.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.566 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.72 148.7 3.51 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -42.79 -88.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.57 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -142.21 -55.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.476 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.7 34.98 1.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.166 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -136.41 148.29 47.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.577 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.0 tp -133.44 125.65 29.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.8 p -75.04 144.49 43.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -66.18 -30.08 70.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.426 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -56.52 -45.15 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.038 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -80.35 -28.21 38.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.35 . . . . 0.0 110.767 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.712 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.9 tm? -53.76 -52.95 58.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.902 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 17.8 ptmt -51.42 -39.17 56.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 70.0 mt-10 -79.19 -27.26 42.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.796 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.637 HD13 ' CD2' ' A' ' 18' ' ' HIS . 22.5 tp -63.34 -55.97 20.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.791 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.722 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.4 pp -51.65 -50.8 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.537 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.722 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.0 pt20 -65.25 -25.69 67.78 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.191 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.6 m -70.53 -42.37 71.34 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.42 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.75 -27.06 16.71 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.344 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 mp -115.07 40.04 2.75 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.728 0.299 . . . . 0.0 110.325 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.431 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 1.2 p -65.68 -28.59 69.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.921 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.25 -47.37 29.98 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -51.37 -63.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.669 0.271 . . . . 0.0 110.988 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 42' ' ' SER . 3.0 pp -56.96 -27.38 61.16 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.058 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 42' ' ' SER . 91.5 m-20 -72.71 -41.1 65.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.617 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.94 39.43 1.79 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.398 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -99.84 137.38 38.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.646 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -104.79 -13.55 15.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.49 ' OD2' ' O ' ' A' ' 84' ' ' ALA . 21.4 m-20 -91.53 106.05 18.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.52 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.1 t -80.04 -32.15 13.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.575 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 58.3 t0 -70.31 -35.41 73.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.96 -51.47 69.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.63 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.8 -31.92 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -58.33 -46.22 86.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.71 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.83 -36.78 85.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.534 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.65 -30.26 24.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.503 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.9 ttm -72.63 -51.52 19.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.52 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -64.3 -31.72 73.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.581 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -52.93 -31.84 42.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.42 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.39 -43.39 92.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.609 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -65.6 -33.84 76.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.39 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -69.59 -35.17 75.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.044 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -101.69 95.63 6.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.575 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -119.66 -5.18 11.27 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' GLY . 43.4 t0 -36.79 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.95 0.405 . . . . 0.0 110.543 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 96.87 -6.34 64.41 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -143.31 132.15 22.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 110.396 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.575 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -92.71 -154.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.309 -179.685 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.575 ' H ' HG12 ' A' ' 69' ' ' VAL . 49.4 t0 -150.14 141.72 23.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.861 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.473 ' CE2' ' HB1' ' B' ' 79' ' ' ALA . 44.9 t80 -48.71 -50.13 34.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.698 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -57.54 -33.65 68.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.655 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' O ' HD23 ' A' ' 77' ' ' LEU . 72.0 mm-40 -75.45 -30.89 60.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.574 ' O ' HG13 ' A' ' 78' ' ' VAL . 15.0 t80 -69.23 -41.97 76.28 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.946 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.17 -28.08 20.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -39.37 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.5 pp -77.63 -34.76 53.16 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.928 -178.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 74' ' ' TYR . 30.3 m -61.69 -42.02 92.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.336 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB1' ' CE2' ' B' ' 71' ' ' PHE . . . -70.11 -38.74 75.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.624 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.52 -31.79 16.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.474 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.6 mt -75.16 -34.24 61.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.6 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.7 m -69.88 -55.1 10.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.754 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.52 -30.85 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.696 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.49 ' O ' ' OD2' ' A' ' 50' ' ' ASP . . . -64.05 -39.18 93.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.71 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.8 m -83.44 -50.54 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.691 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -51.7 -36.12 45.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.572 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -50.61 -24.75 3.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.723 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.8 t80 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.854 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.779 0.324 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -55.11 -31.82 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.677 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.639 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.4 OUTLIER -56.19 -48.37 76.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.395 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.57 -34.22 77.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.555 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 62.1 p -69.49 -34.68 74.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.779 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.8 -38.44 67.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.617 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.1 mmm -76.69 -33.35 58.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.39 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -57.13 -37.41 71.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.783 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 23.7 m -58.72 -40.57 84.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.787 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.575 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.7 mm? -61.11 -31.23 70.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.621 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.5 mm -69.86 -41.9 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -60.95 -55.75 29.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.078 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.429 HG13 ' N ' ' B' ' 15' ' ' PHE . 14.6 p -59.91 -37.8 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.736 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.429 ' N ' HG13 ' B' ' 14' ' ' VAL . 69.6 t80 -60.67 -40.46 92.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.711 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -82.33 -17.76 44.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.779 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.56 -35.59 58.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.644 ' CD2' HD13 ' B' ' 36' ' ' LEU . 57.6 m-70 -92.56 -12.51 31.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 72.5 m -77.03 9.18 3.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.601 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.39 0.03 53.63 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -63.44 -51.99 63.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.718 0.294 . . . . 0.0 110.701 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -149.61 -44.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.614 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.74 148.64 3.56 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -42.65 -88.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -142.07 -55.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.66 35.0 1.41 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.207 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -136.43 148.28 47.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.604 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 26.3 tp -133.39 125.7 29.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.341 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.9 p -75.23 144.52 42.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -66.13 -30.06 70.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.47 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -56.57 -45.15 81.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.018 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -80.25 -28.37 38.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.697 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.724 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.9 tm? -53.64 -53.02 57.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.959 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 17.8 ptmt -51.36 -39.29 56.79 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.804 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 70.1 mt-10 -79.07 -27.22 43.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.947 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.644 HD13 ' CD2' ' B' ' 18' ' ' HIS . 22.7 tp -63.35 -55.97 20.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.792 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.728 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.4 pp -51.76 -50.62 60.31 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.493 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.728 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.0 pt20 -65.47 -25.5 67.53 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.179 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.1 m -70.73 -42.29 70.75 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.358 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.75 -26.99 16.75 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.318 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 mp -115.05 39.79 2.81 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.705 0.288 . . . . 0.0 110.319 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.444 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 1.2 p -65.36 -28.62 69.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.992 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.27 -47.33 30.04 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -51.61 -63.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.061 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' B' ' 42' ' ' SER . 2.9 pp -57.06 -27.5 61.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.953 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' B' ' 42' ' ' SER . 91.9 m-20 -72.76 -40.97 65.57 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.656 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.93 39.48 1.77 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.445 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -99.95 137.38 38.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.626 -179.733 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -104.84 -13.5 15.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.524 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.486 ' OD2' ' O ' ' B' ' 84' ' ' ALA . 21.2 m-20 -91.63 106.12 18.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.619 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 94.3 t -80.26 -31.99 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.473 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' B' ' 52' ' ' ASP . 58.4 t0 -70.25 -35.41 73.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.69 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -51.52 68.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.646 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.0 p -68.75 -32.07 53.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.601 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -58.23 -46.34 86.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.8 -36.81 85.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.524 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 91.1 t -74.67 -30.24 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.0 ttm -72.62 -51.54 19.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.607 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -64.2 -31.76 73.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.584 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -52.95 -31.71 41.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.445 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 62.6 mt -59.43 -43.44 93.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.571 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -65.7 -33.73 76.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.415 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -69.6 -35.23 75.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.999 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -101.63 95.58 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.27 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -119.56 -5.1 11.42 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' B' ' 65' ' ' GLY . 43.4 t0 -36.72 -26.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.4 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 97.08 -7.11 64.34 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -142.18 132.57 25.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.882 0.373 . . . . 0.0 110.471 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.556 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.5 OUTLIER -94.16 -154.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.034 -179.563 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.556 ' H ' HG12 ' B' ' 69' ' ' VAL . 49.3 t0 -150.06 141.78 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.897 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.482 ' CE2' ' HB1' ' A' ' 79' ' ' ALA . 45.0 t80 -48.73 -50.09 35.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.795 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -57.52 -33.65 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.746 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.403 ' O ' HD23 ' B' ' 77' ' ' LEU . 72.1 mm-40 -75.34 -31.06 60.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.574 ' O ' HG13 ' B' ' 78' ' ' VAL . 15.0 t80 -69.22 -41.98 76.34 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.859 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.22 -28.11 20.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.63 -39.46 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.427 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.5 pp -77.67 -34.82 52.86 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.892 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.574 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.8 m -61.43 -42.15 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.479 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.473 ' HB1' ' CE2' ' A' ' 71' ' ' PHE . . . -70.02 -38.79 76.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.771 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.57 -31.59 16.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.9 mt -75.36 -34.27 61.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.578 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 31.3 m -69.7 -55.13 10.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 p -57.72 -30.75 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.643 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.486 ' O ' ' OD2' ' B' ' 50' ' ' ASP . . . -64.03 -39.2 93.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.677 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 73.7 m -83.52 -50.33 8.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.768 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -51.86 -36.0 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.607 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -50.63 -24.91 3.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.726 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.2 t80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.793 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.748 0.308 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -59.78 -37.94 80.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -60.94 -48.61 81.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.183 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.74 -31.31 70.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.27 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.7 m -69.51 -34.94 75.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.602 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.38 -47.16 76.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.59 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.6 mmm -68.15 -36.18 79.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.5 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -56.14 -33.49 65.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.515 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.7 m -60.99 -42.9 99.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.729 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -59.8 -31.23 69.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.479 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.2 mm -70.0 -44.17 78.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.968 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -60.01 -54.8 41.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 15' ' ' PHE . 11.5 p -62.05 -41.32 90.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.735 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.505 ' N ' HG13 ' A' ' 14' ' ' VAL . 89.4 t80 -57.96 -40.93 81.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -79.9 -18.3 50.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.601 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.74 -42.65 60.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.64 ' CD2' HD13 ' A' ' 36' ' ' LEU . 65.1 m-70 -84.37 -10.31 57.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.738 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.3 m -76.17 2.78 12.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.588 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.88 -1.47 67.63 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -69.88 -74.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 110.589 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -115.02 -30.74 6.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.494 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.55 152.36 52.32 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -63.53 -52.34 61.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.538 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -169.18 -45.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.644 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.38 28.26 7.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.147 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -136.08 149.32 48.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.458 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 tp -139.16 127.3 22.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.474 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 p -74.35 145.17 44.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -66.37 -30.13 70.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.342 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -56.41 -45.18 80.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.801 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -80.63 -28.01 37.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.698 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.702 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.5 tm? -53.54 -55.4 25.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 10.8 ptmm? -51.39 -38.38 53.13 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.824 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 93.6 mt-10 -78.88 -27.06 43.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.64 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.7 tp -65.27 -56.3 13.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.72 -179.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.705 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.66 -50.37 60.49 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.604 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.705 ' N ' HD12 ' A' ' 37' ' ' LEU . 12.4 pt20 -65.66 -25.4 67.33 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.276 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.2 m -72.36 -42.06 65.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.724 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.73 -26.75 16.87 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.286 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.5 46.3 1.64 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.796 0.332 . . . . 0.0 110.303 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.4 ' HA ' HD21 ' A' ' 45' ' ' LEU . 24.6 p -68.66 -35.6 77.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.99 -46.63 80.03 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -50.0 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.741 0.305 . . . . 0.0 110.826 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' A' ' 42' ' ' SER . 2.9 pp -54.62 -24.35 21.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.046 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.11 -45.04 51.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.534 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.58 42.95 1.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.393 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.484 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -104.1 133.56 48.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.696 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -101.31 -23.52 14.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.421 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -77.16 105.73 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -80.61 -31.99 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.643 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -72.05 -33.43 67.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.719 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.76 -51.25 67.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.67 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.86 -32.59 58.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.589 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -59.91 -43.37 94.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.641 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.54 -38.09 89.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.3 t -75.25 -30.64 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.648 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.4 ttt -71.89 -50.89 25.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.5 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -64.58 -31.71 73.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.521 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -54.21 -33.98 59.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.633 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.2 mt -59.42 -39.74 84.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.637 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -70.17 -31.2 68.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.557 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -69.31 -38.47 78.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.286 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -100.99 97.01 7.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.419 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.565 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -119.67 -6.37 10.44 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' GLY . 27.7 t70 -36.56 -26.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.777 0.322 . . . . 0.0 110.53 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 99.44 -6.37 59.26 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -142.96 131.73 22.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.189 0.518 . . . . 0.0 110.399 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.597 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.92 -154.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.33 -179.568 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.597 ' H ' HG12 ' A' ' 69' ' ' VAL . 22.5 t0 -149.6 143.65 25.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.914 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -48.7 -51.67 27.44 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.819 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -57.43 -34.13 68.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.609 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -74.64 -30.44 61.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.691 ' O ' HG22 ' A' ' 78' ' ' VAL . 10.7 t80 -68.46 -43.18 77.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.855 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.9 m -75.07 -27.86 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -38.41 39.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 120.468 -0.493 . . . . 0.0 112.288 -178.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -78.3 -42.45 30.74 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.741 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 74' ' ' TYR . 17.9 m -62.11 -32.4 54.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.285 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.06 -37.62 64.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.431 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.77 -24.01 47.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.703 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.6 mt -75.04 -33.23 61.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.62 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.527 HG22 ' OD1' ' A' ' 86' ' ' ASN . 91.1 m -68.13 -53.0 28.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.686 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.85 -23.56 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.699 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.58 24.66 0.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.705 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.0 t -153.41 -43.51 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.527 ' OD1' HG22 ' A' ' 82' ' ' THR . 10.5 m120 -53.5 -31.49 46.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.635 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -49.53 -31.91 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.7 t80 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.64 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.818 0.342 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -59.5 -38.1 80.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.619 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -60.8 -48.76 80.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.119 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.73 -31.29 70.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.301 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 89.9 m -69.46 -34.95 75.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.664 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.19 76.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.541 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.7 mmm -68.16 -36.22 79.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.918 0.39 . . . . 0.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -56.08 -33.63 65.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.553 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.6 m -60.75 -43.13 98.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.771 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.598 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -59.55 -31.38 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.499 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 14.3 mm -70.02 -44.2 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -60.04 -54.69 43.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.5 HG13 ' N ' ' B' ' 15' ' ' PHE . 11.7 p -62.12 -41.4 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.724 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.5 ' N ' HG13 ' B' ' 14' ' ' VAL . 89.3 t80 -57.7 -40.95 80.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.658 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -79.91 -18.45 50.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.86 -42.58 60.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.636 ' CD2' HD13 ' B' ' 36' ' ' LEU . 65.8 m-70 -84.29 -10.33 57.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.785 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m -76.17 2.76 12.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.593 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.92 -1.49 67.51 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -69.94 -74.01 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.705 0.288 . . . . 0.0 110.55 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -115.06 -30.82 6.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.51 152.27 52.27 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -63.43 -52.33 61.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.639 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -169.11 -45.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.568 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.22 28.16 7.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -136.07 149.49 48.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.45 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -139.2 127.37 22.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.426 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.1 p -74.61 145.24 43.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -66.47 -29.89 70.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.299 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -56.74 -45.12 82.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.673 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -80.43 -28.23 37.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.718 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.699 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.5 tm? -53.41 -55.48 24.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.416 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 10.9 ptmm? -51.38 -38.45 53.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.914 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.416 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 93.6 mt-10 -78.82 -26.97 44.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.636 HD13 ' CD2' ' B' ' 18' ' ' HIS . 20.7 tp -65.25 -56.32 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.722 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.717 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.73 -50.25 60.94 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.569 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.717 ' N ' HD12 ' B' ' 37' ' ' LEU . 12.4 pt20 -65.75 -25.44 67.28 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.251 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 66.5 m -72.38 -42.09 65.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.656 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.65 -26.82 16.89 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.322 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.48 46.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 0.0 110.451 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.403 ' HA ' HD21 ' B' ' 45' ' ' LEU . 24.7 p -68.72 -35.49 77.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.05 -46.6 79.75 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -49.96 -66.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.695 0.283 . . . . 0.0 110.744 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' B' ' 42' ' ' SER . 3.0 pp -54.58 -24.31 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.939 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.09 -45.21 50.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.46 43.06 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.474 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -104.18 133.43 49.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.631 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -101.34 -23.29 14.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -77.24 105.79 8.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -80.59 -32.01 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.643 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -72.14 -33.35 67.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.742 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.56 -51.49 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.71 -32.59 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.664 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -59.88 -43.41 94.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.682 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.44 -38.05 89.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.9 t -75.35 -30.64 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.588 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 6.4 ttt -71.76 -51.01 24.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.392 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.4 ' HG2' ' HZ2' ' B' ' 59' ' ' LYS . 3.9 pttm -64.62 -31.57 72.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.539 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -54.21 -34.05 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.609 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 63.3 mt -59.51 -39.67 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.62 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -70.1 -31.26 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.561 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -69.41 -38.46 77.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.118 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -101.02 97.07 7.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.42 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -119.78 -6.28 10.39 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' B' ' 65' ' ' GLY . 27.7 t70 -36.66 -26.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 110.503 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 99.56 -7.19 59.48 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -141.62 131.92 25.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.569 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -94.46 -154.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.035 -179.442 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.569 ' H ' HG12 ' B' ' 69' ' ' VAL . 22.7 t0 -149.38 143.81 26.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.918 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -48.63 -51.82 26.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.79 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -57.25 -34.32 68.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.57 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -74.52 -30.53 61.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.709 ' O ' HG22 ' B' ' 78' ' ' VAL . 10.9 t80 -68.35 -43.28 77.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.931 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 31.0 m -75.01 -27.76 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -38.21 37.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 120.427 -0.509 . . . . 0.0 112.261 -178.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.58 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.5 pp -78.41 -42.4 30.25 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.622 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.709 HG22 ' O ' ' B' ' 74' ' ' TYR . 17.7 m -62.16 -32.39 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.09 -37.5 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.482 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.9 -23.93 48.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.691 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.12 -33.23 61.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.545 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.507 HG22 ' OD1' ' B' ' 86' ' ' ASN . 89.6 m -68.01 -53.0 29.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.763 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 10.9 p -61.94 -23.54 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.604 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.48 24.52 0.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.646 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.8 t -153.31 -43.43 0.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.587 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.507 ' OD1' HG22 ' B' ' 82' ' ' THR . 10.5 m120 -53.57 -31.51 46.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.562 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -49.5 -31.82 10.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 46.8 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.522 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.846 0.355 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -52.32 -29.3 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.602 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.69 -48.72 68.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -65.09 -32.87 74.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.67 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.7 p -69.4 -34.5 74.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.79 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.85 -41.95 71.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.544 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.8 mmm -70.71 -34.55 72.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.374 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -56.7 -35.33 68.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.571 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.5 m -60.21 -42.48 95.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.6 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -59.03 -31.4 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.634 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.5 mm -70.33 -40.41 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.769 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -60.04 -55.68 30.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.9 p -61.46 -39.22 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.737 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.448 ' N ' HG13 ' A' ' 14' ' ' VAL . 72.2 t80 -59.5 -42.81 93.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.572 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -80.37 -17.72 51.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.671 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.42 -42.13 54.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.964 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.528 ' CD2' HD13 ' A' ' 36' ' ' LEU . 40.9 m-70 -86.74 -9.74 55.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.87 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -77.73 4.06 12.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.867 0.365 . . . . 0.0 110.528 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.79 -8.7 59.15 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -64.7 -72.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.797 0.332 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -117.41 -13.6 10.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.37 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.18 153.63 34.14 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -86.75 -32.19 20.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.801 0.334 . . . . 0.0 110.574 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -169.66 -91.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.539 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.28 28.04 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 25' ' ' LYS . 45.2 mtmt -121.87 142.04 50.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.624 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 tp -139.46 123.44 17.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.308 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -75.16 143.44 43.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.043 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -68.79 -29.69 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.456 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -56.69 -44.86 81.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.888 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.45 -28.17 37.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.663 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.674 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.4 tm? -53.46 -52.58 59.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.894 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -51.25 -36.96 44.48 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.768 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' A' ' 39' ' ' THR . 95.7 mt-10 -79.2 -27.35 42.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.823 0.344 . . . . 0.0 110.836 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.528 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.9 tp -66.69 -56.23 11.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.805 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.58 -49.12 62.71 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.274 -178.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.681 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.8 pt20 -67.7 -25.57 65.74 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.928 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 42.1 m -72.84 -39.61 66.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.167 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -92.99 -26.75 17.4 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.234 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.58 45.73 2.07 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.682 0.277 . . . . 0.0 110.481 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -68.32 -31.03 70.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.66 -53.0 7.67 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -44.82 -66.96 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.011 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 pp -54.37 -12.84 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.922 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -99.64 -17.06 17.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.787 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.17 -2.93 30.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.773 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.582 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 5.1 pp0? -105.36 146.83 28.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.643 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -115.69 9.82 15.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.404 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.582 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 94.6 m-20 -79.25 106.04 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.657 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.3 t -76.02 -38.83 36.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.692 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -69.03 -38.81 79.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.97 -51.51 66.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.676 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 50' ' ' ASP . 9.4 p -68.95 -34.41 64.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.32 -46.91 72.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.621 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -60.63 -38.18 83.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.641 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.89 -30.49 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.56 -51.2 24.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.433 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -63.99 -31.55 72.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.584 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -54.15 -31.96 53.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.7 -39.78 92.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.554 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -74.22 -27.64 60.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.753 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -73.15 -41.18 64.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.505 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -100.93 32.86 3.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.591 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.45 16.32 7.98 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -48.55 -45.09 37.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.85 0.357 . . . . 0.0 110.532 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.3 -15.87 3.43 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -142.71 132.63 24.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.05 0.452 . . . . 0.0 110.446 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.594 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -92.62 -154.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.413 -179.501 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.594 ' H ' HG12 ' A' ' 69' ' ' VAL . 12.7 m-20 -150.16 141.26 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.819 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.463 ' CE2' ' HB1' ' B' ' 79' ' ' ALA . 37.4 t80 -48.52 -49.74 34.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.789 0.328 . . . . 0.0 110.681 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.06 -33.42 72.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.633 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' O ' HD23 ' A' ' 77' ' ' LEU . 17.2 mm-40 -74.29 -30.85 62.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.055 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.551 ' O ' HG13 ' A' ' 78' ' ' VAL . 15.4 t80 -70.67 -42.47 70.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.848 0.356 . . . . 0.0 110.958 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 m -74.94 -27.77 20.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.53 -40.4 33.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -76.89 -35.02 57.69 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.971 -178.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 74' ' ' TYR . 30.1 m -62.06 -41.53 91.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.352 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB1' ' CE2' ' B' ' 71' ' ' PHE . . . -67.98 -39.82 83.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.45 -32.78 12.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.597 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.1 mt -75.43 -29.84 59.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.597 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.7 m -69.54 -55.14 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.992 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.29 -26.97 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.821 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.81 -22.52 66.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.808 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.9 t -93.81 -56.09 3.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.771 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -47.13 -33.99 5.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.776 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -52.69 -28.16 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.634 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.3 t80 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.659 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.806 0.336 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -52.37 -29.29 23.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.639 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.4 OUTLIER -66.83 -48.72 68.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.493 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.95 -32.9 74.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.683 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 77.5 p -69.37 -34.61 74.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.817 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.83 -41.92 71.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.649 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 58.7 mmm -70.58 -34.66 72.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.488 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -56.55 -35.4 68.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.575 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 23.6 m -60.27 -42.38 95.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.6 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -58.96 -31.51 68.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.615 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.36 -40.27 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.808 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -60.1 -55.53 32.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.941 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.438 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.7 p -61.6 -39.22 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.685 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.438 ' N ' HG13 ' B' ' 14' ' ' VAL . 72.0 t80 -59.49 -42.83 93.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.548 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -80.47 -17.58 51.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.768 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.47 -42.08 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.528 ' CD2' HD13 ' B' ' 36' ' ' LEU . 41.4 m-70 -86.68 -9.83 55.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.956 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.6 m -77.66 4.11 12.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.503 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.98 -8.51 59.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -64.71 -72.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.856 0.36 . . . . 0.0 110.4 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -117.25 -13.75 10.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.02 153.67 34.46 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -86.71 -32.3 20.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 110.54 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.407 ' C ' ' H ' ' B' ' 27' ' ' LYS . 0.2 OUTLIER -169.6 -91.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.35 28.08 0.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.299 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' B' ' 25' ' ' LYS . 45.2 mtmt -121.89 141.97 50.73 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -139.42 123.53 17.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.301 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -75.22 143.4 43.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.256 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -68.74 -29.78 68.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.444 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -56.62 -44.91 81.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.914 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.29 -28.34 38.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.906 0.384 . . . . 0.0 110.657 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.666 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.5 tm? -53.5 -52.54 59.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.792 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -51.27 -36.92 44.47 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.763 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -79.27 -27.29 42.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.822 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.528 HD13 ' CD2' ' B' ' 18' ' ' HIS . 20.9 tp -66.57 -56.3 11.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.84 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.692 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.54 -49.06 62.74 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.373 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.692 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.9 pt20 -67.61 -25.63 65.85 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.006 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 43.0 m -72.82 -39.65 66.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.217 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -93.02 -26.57 17.45 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.214 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.77 45.8 2.07 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.439 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -68.38 -30.91 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.001 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.79 -52.88 7.69 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -44.89 -67.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.627 0.251 . . . . 0.0 110.89 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 pp -54.28 -12.82 0.72 Allowed 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.823 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -99.69 -17.11 17.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.728 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.13 -2.96 30.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.712 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.578 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 5.1 pp0? -105.41 146.83 28.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.627 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -115.59 9.79 15.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.478 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.578 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 94.5 m-20 -79.24 106.0 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.639 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -76.08 -38.64 35.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -69.01 -38.92 79.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.9 -51.44 66.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.799 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.436 HG12 ' O ' ' B' ' 50' ' ' ASP . 9.3 p -69.08 -34.23 62.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.664 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.49 -46.76 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.609 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -60.83 -38.11 84.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.627 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.5 t -76.78 -30.56 18.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.634 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.53 -51.4 23.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -63.93 -31.56 72.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -54.04 -31.98 53.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.56 -39.83 92.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.648 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.2 -27.68 60.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.771 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -73.12 -41.09 64.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.468 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -101.02 32.72 3.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.481 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.5 16.48 7.8 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -48.71 -44.91 38.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 110.512 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.44 -16.86 3.35 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -141.16 133.22 27.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 0.0 110.526 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.58 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -94.14 -154.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.199 -179.54 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.58 ' H ' HG12 ' B' ' 69' ' ' VAL . 12.8 m-20 -150.06 141.43 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.028 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.468 ' CE2' ' HB1' ' A' ' 79' ' ' ALA . 37.0 t80 -48.6 -49.65 35.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.352 . . . . 0.0 110.766 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.13 -33.4 72.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.432 ' O ' HD23 ' B' ' 77' ' ' LEU . 17.1 mm-40 -74.18 -30.93 62.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.548 ' O ' HG13 ' B' ' 78' ' ' VAL . 15.5 t80 -70.73 -42.23 70.82 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.966 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.8 m -75.03 -27.93 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.44 -40.33 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.432 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -76.99 -34.97 57.49 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.883 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.548 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.4 m -62.03 -41.69 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.348 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.467 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -67.89 -39.88 83.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.838 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.5 -32.68 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.635 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.2 mt -75.36 -29.94 60.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.562 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.9 m -69.57 -55.22 10.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.887 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.0 p -60.06 -27.1 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.929 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.85 -22.49 65.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.792 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.5 t -93.73 -56.17 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.756 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -47.27 -33.88 6.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -52.66 -28.14 20.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.787 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 74.4 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.634 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.856 0.36 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -60.72 -40.36 92.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.631 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.798 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.7 tm? -65.78 -48.39 71.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.213 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.92 -33.54 73.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.489 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.3 m -68.88 -35.12 76.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.57 77.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.528 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.5 mmm -64.8 -38.77 92.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.495 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 7.6 tt0 -55.02 -35.52 64.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.695 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.5 m -59.79 -44.59 93.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.753 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.577 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -55.92 -31.6 63.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.447 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -70.57 -40.05 76.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.69 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 8.7 m-80 -63.91 -55.68 20.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.746 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.0 p -62.33 -39.68 85.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.475 ' N ' HG13 ' A' ' 14' ' ' VAL . 92.8 t80 -60.52 -45.16 94.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.569 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -80.08 -19.18 48.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.783 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.59 -37.45 79.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.625 ' CD2' HD13 ' A' ' 36' ' ' LEU . 66.1 m-70 -91.72 -17.53 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.717 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 47.1 m -63.96 -24.84 67.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.81 -8.02 32.08 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -68.77 -106.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.452 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -87.0 -33.68 19.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.541 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.88 150.41 51.52 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.53 -62.8 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 110.573 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -145.34 -76.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.66 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -83.66 -5.08 59.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.227 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -92.81 147.48 22.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.373 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 tp -146.42 114.92 6.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.92 0.39 . . . . 0.0 110.588 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.51 150.02 23.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.792 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.61 ' HZ2' HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -68.85 -30.25 68.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.976 0.417 . . . . 0.0 110.41 179.333 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.77 -43.21 80.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.513 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -80.15 -28.34 38.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.307 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.66 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.9 tm? -62.17 -56.14 21.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.569 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -52.11 -38.86 58.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.916 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' O ' ' OG1' ' A' ' 39' ' ' THR . 30.7 mt-10 -78.92 -27.21 43.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.625 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.8 tp -66.21 -56.28 12.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.639 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.704 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -52.47 -50.03 63.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.513 -178.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.704 ' N ' HD12 ' A' ' 37' ' ' LEU . 13.5 pt20 -66.04 -25.55 67.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.032 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 55.1 m -73.85 -38.31 64.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.082 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.447 ' HB3' HD12 ' B' ' 4' ' ' LEU . 69.3 mm-40 -93.45 -26.88 17.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.288 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.12 45.08 2.06 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.736 0.303 . . . . 0.0 110.41 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -68.25 -27.59 66.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.19 -52.31 4.93 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.414 ' C ' ' H ' ' A' ' 46' ' ' ASP . 12.6 m-85 -45.89 -64.58 0.71 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.574 0.226 . . . . 0.0 110.917 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.83 -9.53 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.048 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 44' ' ' PHE . 16.4 t70 -105.69 -16.18 14.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.701 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.25 -2.94 21.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.768 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.51 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.9 pp0? -99.53 134.48 42.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.768 0.318 . . . . 0.0 110.735 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -98.42 -3.34 37.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.475 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.51 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 83.3 m-20 -71.63 104.3 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.66 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -80.41 -28.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.423 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -72.78 -39.48 66.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.727 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.12 -51.38 69.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.606 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.11 -31.86 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.716 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -62.42 -40.77 97.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.698 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -72.38 -37.38 68.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.081 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.7 t -77.28 -48.15 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.209 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.657 ' SD ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -60.24 -44.09 95.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.935 -179.271 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.657 ' N ' ' SD ' ' A' ' 58' ' ' MET . 23.5 pttt -68.74 -33.29 73.67 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.513 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -52.85 -28.62 23.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.402 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.3 mt -67.72 -38.63 83.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.628 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.65 -31.93 70.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -80.06 -37.4 33.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.58 ' C ' ' H ' ' A' ' 66' ' ' ASP . 16.5 m-20 -87.49 24.19 1.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.674 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . -58.74 4.54 0.09 OUTLIER Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' A' ' 64' ' ' ASN . 50.4 m-20 -34.9 -35.33 0.04 OUTLIER 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.881 0.372 . . . . 0.0 110.519 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 121.15 -4.57 11.28 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -173.6 135.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.158 0.504 . . . . 0.0 111.437 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.61 HG13 ' HZ2' ' A' ' 30' ' ' LYS . 10.7 m -91.51 -172.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.565 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -126.61 154.34 44.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -49.11 -53.2 21.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.622 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -56.18 -33.55 65.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -76.16 -30.81 58.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.652 ' O ' HG13 ' A' ' 78' ' ' VAL . 26.7 t80 -69.02 -40.52 78.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.5 m -75.07 -28.67 21.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.076 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.71 -39.68 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.7 pp -78.24 -35.13 48.7 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.895 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.5 m -61.2 -41.95 91.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.197 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -70.58 -37.36 73.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.494 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.8 -31.27 26.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.44 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.0 mt -75.62 -36.74 60.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.546 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.1 m -66.0 -55.13 18.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.715 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' A' ' 85' ' ' CYS . 12.1 p -54.39 -34.85 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.653 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.12 23.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.549 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.451 ' H ' ' C ' ' A' ' 83' ' ' VAL . 21.8 t -137.03 -65.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.488 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -53.79 -28.47 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -45.48 -28.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.0 t80 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.497 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.818 0.342 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -60.78 -40.42 92.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.665 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.798 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.7 tm? -65.77 -48.31 72.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.188 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.97 -33.61 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.469 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 33.0 m -68.74 -35.25 76.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.562 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.44 -46.52 76.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.662 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 56.4 mmm -64.89 -38.66 91.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.523 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 7.6 tt0 -55.06 -35.6 64.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.596 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.2 m -59.77 -44.6 93.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.786 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.562 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -55.92 -31.55 62.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.49 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -70.58 -40.01 76.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.684 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 8.8 m-80 -64.01 -55.63 20.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.783 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.466 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.3 p -62.26 -39.77 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.75 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.466 ' N ' HG13 ' B' ' 14' ' ' VAL . 92.8 t80 -60.47 -45.09 95.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.658 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -80.05 -19.25 48.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.717 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.55 -37.47 79.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.727 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.615 ' CD2' HD13 ' B' ' 36' ' ' LEU . 66.0 m-70 -91.62 -17.61 25.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.705 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.6 m -63.97 -24.77 67.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.594 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.86 -8.11 32.84 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -68.63 -106.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 110.484 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -86.9 -33.77 19.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.483 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.92 150.49 51.57 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -70.6 -62.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.718 0.294 . . . . 0.0 110.562 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -145.31 -76.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.746 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -83.87 -4.98 59.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.372 . . . . 0.0 110.239 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -92.9 147.51 22.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.281 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 tp -146.39 114.97 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.638 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.59 150.06 24.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.603 ' HZ2' HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -69.11 -30.13 68.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.157 179.559 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.488 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.86 -43.15 80.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.464 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -80.12 -28.29 38.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.986 0.422 . . . . 0.0 110.31 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.658 HD13 ' C ' ' B' ' 33' ' ' LEU . 1.9 tm? -62.37 -55.97 22.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.554 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -52.27 -38.86 59.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.799 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -78.81 -27.4 44.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.794 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.615 HD13 ' CD2' ' B' ' 18' ' ' HIS . 20.5 tp -66.29 -56.04 13.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.691 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.712 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -52.48 -50.2 63.19 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.403 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.712 ' N ' HD12 ' B' ' 37' ' ' LEU . 13.6 pt20 -65.88 -25.64 67.27 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.084 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 55.2 m -73.83 -38.42 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.016 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.433 ' HB3' HD12 ' A' ' 4' ' ' LEU . 69.4 mm-40 -93.52 -26.58 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.299 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.28 44.98 2.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.865 0.364 . . . . 0.0 110.51 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -68.28 -27.5 66.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.999 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.19 -52.34 4.91 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.43 ' C ' ' H ' ' B' ' 46' ' ' ASP . 12.6 m-85 -45.9 -64.55 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.65 0.262 . . . . 0.0 110.944 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.89 -9.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.049 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' B' ' 44' ' ' PHE . 16.4 t70 -105.84 -16.18 14.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.675 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.29 -2.88 21.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.512 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.9 pp0? -99.63 134.38 42.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.745 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -98.36 -3.2 37.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.473 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.512 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 83.8 m-20 -71.81 104.35 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.581 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 57.1 t -80.45 -27.94 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.57 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -72.81 -39.27 66.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.21 -51.41 69.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.584 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.0 p -66.11 -31.85 55.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.788 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -62.3 -40.85 97.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.722 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -72.53 -37.11 68.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.061 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 91.3 t -77.55 -47.97 25.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.173 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.659 ' SD ' ' N ' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -60.15 -44.2 95.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.004 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.659 ' N ' ' SD ' ' B' ' 58' ' ' MET . 23.6 pttt -68.78 -33.29 73.62 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.493 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -52.86 -28.46 23.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.365 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 65.8 mt -67.94 -38.45 82.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.71 -32.14 70.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.698 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -80.05 -37.4 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.553 ' C ' ' H ' ' B' ' 66' ' ' ASP . 16.6 m-20 -87.45 24.17 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.778 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -58.73 4.62 0.09 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.553 ' H ' ' C ' ' B' ' 64' ' ' ASN . 50.6 m-20 -34.91 -35.4 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.892 0.377 . . . . 0.0 110.511 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 121.18 -4.45 11.27 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -173.55 136.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 0.0 111.418 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.603 HG13 ' HZ2' ' B' ' 30' ' ' LYS . 10.4 m -92.17 -172.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.52 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -126.53 154.41 43.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.197 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -49.16 -53.1 22.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.963 0.411 . . . . 0.0 110.646 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -56.29 -33.57 65.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.486 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -76.13 -30.79 58.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.641 ' O ' HG13 ' B' ' 78' ' ' VAL . 27.1 t80 -68.99 -40.55 78.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 31.7 m -75.16 -28.54 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.097 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.82 -39.74 31.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.418 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.7 pp -78.06 -35.24 49.79 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.046 -0.662 . . . . 0.0 111.945 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.641 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.5 m -61.13 -41.91 91.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.281 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.474 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -70.59 -37.36 73.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.519 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.72 -31.27 25.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 85.4 mt -75.53 -36.91 60.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.559 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.4 m -65.77 -55.28 18.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.76 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' B' ' 85' ' ' CYS . 12.4 p -54.29 -34.94 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.12 23.69 0.18 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.451 ' H ' ' C ' ' B' ' 83' ' ' VAL . 22.4 t -137.11 -65.29 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.529 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -53.72 -28.46 34.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -45.48 -28.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.578 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 t80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.671 0.272 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -64.19 -29.21 70.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.625 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -64.35 -48.84 74.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.347 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.62 -31.33 69.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.386 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.1 m -68.96 -35.74 77.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.665 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.21 73.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.527 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.2 mmm -68.07 -40.47 82.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.509 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.89 -34.78 60.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.642 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.6 m -59.18 -43.09 92.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.704 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.602 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -61.53 -31.51 71.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.7 mm -69.67 -39.82 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.807 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -60.08 -55.38 34.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.706 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.3 p -63.08 -41.57 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.812 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.487 ' N ' HG13 ' A' ' 14' ' ' VAL . 83.4 t80 -55.79 -41.74 74.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.569 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -82.16 -22.18 36.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.566 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.04 -35.73 78.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.729 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.675 ' CD2' HD13 ' A' ' 36' ' ' LEU . 57.6 m-70 -91.98 -7.37 49.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.576 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -76.92 -4.1 42.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.485 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.33 -9.79 66.66 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -68.2 -70.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.734 0.302 . . . . 0.0 110.51 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -115.95 -15.61 11.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.459 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.69 -153.85 19.77 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -138.21 -63.06 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.511 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.515 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 13.0 ptmt -154.8 33.63 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.615 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER 171.53 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.099 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 8.9 mtmp? -63.98 147.16 52.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.495 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.402 HD12 ' H ' ' A' ' 29' ' ' SER . 31.0 tp -147.08 129.84 16.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.502 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.402 ' H ' HD12 ' A' ' 28' ' ' LEU . 17.6 m -74.26 148.9 41.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.051 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -69.04 -39.32 79.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.582 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.47 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.83 -38.8 73.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.582 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -80.17 -43.35 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.908 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.821 ' O ' HD23 ' A' ' 33' ' ' LEU . 2.9 tt -62.28 -33.51 74.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.772 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -51.89 -45.41 64.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.399 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.449 ' O ' ' OG1' ' A' ' 39' ' ' THR . 50.1 mt-10 -79.3 -27.39 42.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.378 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.675 HD13 ' CD2' ' A' ' 18' ' ' HIS . 47.3 tp -58.06 -55.64 32.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.937 -178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 38' ' ' GLN . 2.9 pp -50.59 -47.79 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.433 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.659 ' N ' HD12 ' A' ' 37' ' ' LEU . 17.2 pt20 -75.46 -25.68 57.63 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.189 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 44.4 m -64.82 -46.94 79.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.283 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -84.53 -26.9 27.73 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.428 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 41' ' ' LEU . 6.2 mp -116.23 43.95 2.07 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.792 0.33 . . . . 0.0 110.577 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.2 p -68.46 -27.23 65.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.22 -50.71 9.74 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.424 ' C ' ' H ' ' A' ' 46' ' ' ASP . 13.2 m-85 -46.35 -65.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.631 0.253 . . . . 0.0 110.874 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.21 -8.51 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.78 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 44' ' ' PHE . 21.9 t0 -105.65 -14.36 15.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.67 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.31 -2.99 21.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.735 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.474 ' OE1' ' O ' ' A' ' 50' ' ' ASP . 5.3 pp0? -102.85 138.73 39.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.893 0.378 . . . . 0.0 110.658 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -95.84 -4.14 44.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.598 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.474 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 72.3 m-20 -75.46 92.71 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.585 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.435 ' O ' ' CG ' ' A' ' 55' ' ' ASP . 76.0 t -73.79 -32.59 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.662 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -72.56 -36.41 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.75 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.26 -50.09 64.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.7 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.11 -34.73 65.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.404 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 51' ' ' VAL . 56.1 m-20 -57.02 -42.87 81.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.488 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -64.81 -39.29 93.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.539 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.439 HG11 HD21 ' A' ' 81' ' ' LEU . 78.4 t -73.82 -30.67 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.59 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.4 ttt -72.61 -51.49 19.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.386 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.0 -31.5 72.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.495 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.31 -28.64 29.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.258 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.73 -36.95 76.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -68.5 -28.52 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -75.47 -40.79 56.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.53 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -89.3 49.36 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.711 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . -83.31 8.02 65.85 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' GLY . 9.9 t70 -36.49 -35.03 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.887 0.375 . . . . 0.0 110.477 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 120.25 -14.56 10.19 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -151.12 132.36 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.975 0.417 . . . . 0.0 110.556 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.584 HG21 HD13 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -92.52 -154.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.051 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.446 ' H ' HG12 ' A' ' 69' ' ' VAL . 59.1 t0 -147.28 138.27 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.933 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -48.52 -49.27 36.79 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.596 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -52.68 -35.97 56.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 110.407 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -75.84 -30.69 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.593 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.679 ' O ' HG13 ' A' ' 78' ' ' VAL . 21.1 t80 -64.9 -40.76 95.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.889 0.376 . . . . 0.0 110.794 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.61 -30.09 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.71 -39.1 31.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.7 pp -78.17 -34.99 49.3 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.856 -178.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.8 m -61.2 -41.69 90.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.474 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.458 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -72.17 -39.11 68.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.74 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.14 -28.98 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.439 HD21 HG11 ' A' ' 57' ' ' VAL . 79.2 mt -75.25 -33.73 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.5 m -69.56 -55.62 9.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.758 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 p -57.93 -26.17 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.579 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.58 7.35 5.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.656 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t -127.38 -53.63 1.37 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.516 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -52.05 -30.95 27.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.584 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -55.35 -11.65 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.634 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 93.1 t80 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.775 -179.87 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.761 0.315 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -64.29 -29.28 70.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.494 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.575 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -64.39 -48.72 74.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.417 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.74 -31.07 68.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.484 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 57.9 m -69.08 -35.72 76.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.638 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.35 -42.18 73.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 69.7 mmm -68.07 -40.56 82.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.575 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.71 -34.93 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.651 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.4 m -59.07 -43.1 91.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.761 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.613 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.7 mm? -61.57 -31.5 71.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.435 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.0 mm -69.69 -39.88 78.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.709 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -60.01 -55.4 34.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.482 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.3 p -63.11 -41.63 93.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.482 ' N ' HG13 ' B' ' 14' ' ' VAL . 83.5 t80 -55.71 -41.85 74.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -81.99 -22.25 36.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.62 78.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.766 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.675 ' CD2' HD13 ' B' ' 36' ' ' LEU . 58.2 m-70 -91.99 -7.35 49.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.696 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.9 m -76.91 -4.12 42.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.45 -9.66 66.59 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -68.2 -70.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.32 . . . . 0.0 110.462 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -115.87 -15.67 11.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.69 -153.89 19.85 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -138.18 -63.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 0.0 110.555 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.508 ' O ' ' CD2' ' B' ' 26' ' ' TYR . 12.9 ptmt -154.91 33.45 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.683 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' B' ' 25' ' ' LYS . 0.5 OUTLIER 171.64 -48.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.237 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.421 ' NZ ' ' CB ' ' B' ' 27' ' ' LYS . 8.9 mtmp? -64.01 147.08 52.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.47 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.7 tp -146.97 129.66 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.625 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 17.8 m -74.21 148.92 41.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.093 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -69.12 -39.23 79.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.563 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.476 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.98 -38.63 73.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.595 -179.571 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -80.27 -43.33 21.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.806 ' O ' HD23 ' B' ' 33' ' ' LEU . 2.9 tt -62.22 -33.71 75.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.892 0.377 . . . . 0.0 110.785 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -51.79 -45.46 63.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.404 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' B' ' 39' ' ' THR . 50.1 mt-10 -79.35 -27.24 42.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.326 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.675 HD13 ' CD2' ' B' ' 18' ' ' HIS . 47.3 tp -58.1 -55.91 28.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.781 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.655 HD12 ' N ' ' B' ' 38' ' ' GLN . 2.9 pp -50.47 -47.82 56.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.403 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.655 ' N ' HD12 ' B' ' 37' ' ' LEU . 17.2 pt20 -75.45 -25.64 57.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.782 0.325 . . . . 0.0 111.177 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 44.7 m -64.92 -46.86 79.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.25 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -84.73 -26.85 27.37 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.348 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.32 44.11 2.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.868 0.366 . . . . 0.0 110.648 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.3 p -68.59 -27.31 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.619 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.23 -50.63 9.89 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.437 ' C ' ' H ' ' B' ' 46' ' ' ASP . 13.1 m-85 -46.4 -65.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.618 0.247 . . . . 0.0 110.74 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.32 -8.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.764 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' B' ' 44' ' ' PHE . 21.9 t0 -105.64 -14.38 15.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.671 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.33 -2.92 21.73 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.679 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.469 ' OE1' ' O ' ' B' ' 50' ' ' ASP . 5.3 pp0? -102.96 138.64 39.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -95.81 -4.07 44.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.659 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.469 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 71.9 m-20 -75.44 92.64 2.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.521 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.444 ' O ' ' CG ' ' B' ' 55' ' ' ASP . 75.3 t -73.96 -32.37 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.627 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -72.71 -36.43 67.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.667 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -50.05 65.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -69.17 -34.7 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.435 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' B' ' 51' ' ' VAL . 56.2 m-20 -56.87 -42.94 80.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.529 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -64.81 -39.28 93.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.445 HG11 HD21 ' B' ' 81' ' ' LEU . 79.4 t -73.87 -30.51 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.689 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.5 ttt -72.56 -51.48 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.409 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -65.07 -31.51 72.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.444 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.36 -28.51 29.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.287 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.9 -36.95 75.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.768 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -68.49 -28.49 67.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.579 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -75.45 -40.77 57.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.575 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -89.33 49.46 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.576 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' B' ' 66' ' ' ASP . . . -83.37 8.0 66.15 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' B' ' 65' ' ' GLY . 9.9 t70 -36.57 -34.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.771 0.32 . . . . 0.0 110.424 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 120.25 -14.43 10.2 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -151.2 132.36 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.968 0.413 . . . . 0.0 110.473 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.581 HG21 HD13 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -93.32 -154.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.837 -179.715 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.438 ' H ' HG12 ' B' ' 69' ' ' VAL . 59.2 t0 -147.28 138.47 23.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.932 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -48.58 -49.24 37.5 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.563 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -52.83 -35.89 57.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 110.351 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -75.88 -30.76 58.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.629 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.658 ' O ' HG13 ' B' ' 78' ' ' VAL . 21.4 t80 -64.8 -40.78 95.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.816 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.6 -30.08 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.71 -39.05 31.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.402 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.7 pp -78.17 -34.92 49.38 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.039 -0.664 . . . . 0.0 111.922 -178.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.658 HG13 ' O ' ' B' ' 74' ' ' TYR . 28.2 m -61.24 -41.77 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.349 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.465 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -72.09 -39.13 69.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.753 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.23 -28.91 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.505 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.445 HD21 HG11 ' B' ' 57' ' ' VAL . 78.3 mt -75.31 -33.5 61.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.71 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.1 m -69.68 -55.62 9.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 p -57.92 -26.16 27.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.612 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.49 7.19 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.633 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t -127.31 -53.69 1.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.522 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -52.17 -30.88 28.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -55.41 -11.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.756 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 93.1 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.702 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.827 0.346 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.492 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 56.7 mp0 -57.6 -39.37 76.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.528 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -60.48 -48.46 81.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.238 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.92 -32.23 73.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.232 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.2 m -69.42 -34.94 75.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.703 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.34 -46.57 76.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.546 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.2 mmm -67.1 -36.83 82.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.441 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -56.54 -34.03 66.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.627 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.0 m -60.79 -43.23 98.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.684 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.589 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -58.88 -31.39 68.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.474 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.8 mm -70.24 -41.94 78.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.803 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -59.87 -55.45 34.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.04 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 15' ' ' PHE . 12.5 p -62.1 -39.95 85.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.671 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.473 ' N ' HG13 ' A' ' 14' ' ' VAL . 72.3 t80 -57.41 -42.14 81.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.58 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -79.1 -18.29 53.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.657 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.7 71.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.421 ' CD2' HD13 ' A' ' 36' ' ' LEU . 20.8 m-70 -89.66 -10.4 45.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.781 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.6 m -76.12 -2.21 29.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.541 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.56 3.88 68.89 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -75.52 -81.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.61 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 23' ' ' GLY . 18.0 mt-10 -102.67 -51.62 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.52 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.49 ' O ' ' OD1' ' A' ' 24' ' ' ASP . . . -57.47 -129.57 0.01 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 23' ' ' GLY . 77.7 m-20 -150.8 -99.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.559 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -97.16 -74.12 0.58 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.632 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -93.42 24.91 3.67 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.404 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HB2' ' H ' ' A' ' 24' ' ' ASP . 42.8 mtmt -118.74 127.94 54.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.448 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' N ' ' OE2' ' A' ' 68' ' ' GLU . 36.1 tp -136.37 123.01 21.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -75.24 147.01 40.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.949 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.537 ' NZ ' ' OD1' ' A' ' 64' ' ' ASN . 39.3 tptt -67.93 -29.91 69.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.379 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -56.78 -44.94 82.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.907 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -80.43 -28.58 37.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.815 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.7 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.0 tm? -55.14 -49.67 71.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.596 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -51.21 -35.4 36.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.647 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 39' ' ' THR . 70.2 mm-40 -79.36 -27.56 41.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 18' ' ' HIS . 19.7 tp -65.33 -56.36 13.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.565 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -51.11 -49.44 60.75 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.19 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 37' ' ' LEU . 7.2 pt20 -69.07 -25.65 64.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.961 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 21.4 m -71.31 -45.13 63.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.212 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -88.44 -27.21 21.68 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.386 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.98 47.27 1.85 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.252 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 p -67.74 -39.43 84.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.593 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.67 -33.04 17.1 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -54.59 30.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.707 0.289 . . . . 0.0 110.24 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.17 -8.87 49.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 33.1 t0 -94.43 -13.68 25.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.9 -1.62 48.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.781 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.583 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -104.74 136.25 44.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.646 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -95.01 -6.1 43.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.589 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.583 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 69.7 m-20 -70.02 106.22 3.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.572 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 82.2 t -78.51 -30.26 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -72.39 -36.61 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.683 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -51.42 69.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.69 -34.23 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -56.67 -43.71 80.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.472 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.92 -37.52 87.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -76.6 -30.55 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.582 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.2 ttt -74.69 -49.99 19.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.318 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -63.97 -31.76 73.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.25 -35.75 60.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.577 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.21 -38.63 87.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.489 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -72.41 -28.49 63.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.613 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.5 -38.4 71.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.19 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.553 ' C ' ' H ' ' A' ' 66' ' ' ASP . 1.1 m-80 -65.51 -96.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.391 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . 70.08 -24.82 0.43 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.553 ' H ' ' C ' ' A' ' 64' ' ' ASN . 54.5 t0 -37.56 -32.49 0.05 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.972 0.415 . . . . 0.0 110.161 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 101.24 -9.91 57.93 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.491 ' OE2' ' N ' ' A' ' 28' ' ' LEU . 30.3 tp10 -143.06 132.51 23.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.172 0.511 . . . . 0.0 110.46 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.559 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.4 OUTLIER -92.59 -154.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.211 -179.659 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.559 ' H ' HG12 ' A' ' 69' ' ' VAL . 11.5 t70 -152.08 140.03 20.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.97 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -48.68 -52.93 20.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.951 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -58.37 -33.75 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.798 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.1 mm-40 -75.59 -30.89 59.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.465 ' CE1' HG11 ' A' ' 78' ' ' VAL . 8.9 t80 -69.02 -42.96 75.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.867 0.365 . . . . 0.0 110.92 -179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.01 -27.67 27.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -75.56 -37.44 37.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.248 -178.409 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.8 pp -76.2 -42.35 46.5 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.939 -0.704 . . . . 0.0 111.546 -179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.603 ' N ' HD12 ' A' ' 77' ' ' LEU . 19.1 m -59.36 -35.61 59.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.307 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.77 -40.65 69.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.557 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.84 -28.26 22.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.618 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.4 mt -72.52 -34.1 67.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.584 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.6 m -70.42 -54.16 13.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.5 -24.83 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.614 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.51 11.12 4.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.787 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.4 t -134.57 -49.92 0.78 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.649 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -52.18 -32.76 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.61 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -63.24 -12.04 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.461 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.2 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.683 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.734 0.302 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.48 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 56.7 mp0 -57.55 -39.48 76.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.626 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.4 OUTLIER -60.26 -48.6 81.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.242 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.04 -32.19 73.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.054 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.1 m -69.39 -34.97 75.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.715 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.47 -46.54 76.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.481 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 58.2 mmm -67.13 -36.65 82.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.473 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -56.71 -33.96 66.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.542 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 22.7 m -60.78 -43.18 98.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.77 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.593 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -58.98 -31.34 68.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.49 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.0 mm -70.31 -41.92 78.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.713 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -59.8 -55.63 31.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.871 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.456 HG13 ' N ' ' B' ' 15' ' ' PHE . 12.3 p -62.06 -39.72 84.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.829 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.456 ' N ' HG13 ' B' ' 14' ' ' VAL . 72.8 t80 -57.7 -42.06 82.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.449 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -79.11 -18.27 53.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.631 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.65 71.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.421 ' CD2' HD13 ' B' ' 36' ' ' LEU . 20.8 m-70 -89.66 -10.44 45.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.8 m -76.17 -2.16 29.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.397 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.47 3.95 69.26 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -75.61 -81.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 110.617 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' B' ' 23' ' ' GLY . 18.2 mt-10 -102.72 -51.58 3.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.481 ' O ' ' OD1' ' B' ' 24' ' ' ASP . . . -57.46 -129.33 0.01 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.481 ' OD1' ' O ' ' B' ' 23' ' ' GLY . 77.6 m-20 -150.97 -99.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.778 0.323 . . . . 0.0 110.549 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -97.08 -74.21 0.58 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.637 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -93.34 24.79 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.334 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.412 ' HB2' ' H ' ' B' ' 24' ' ' ASP . 42.8 mtmt -118.72 127.92 54.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.434 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.489 ' N ' ' OE2' ' B' ' 68' ' ' GLU . 36.1 tp -136.32 123.1 21.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.349 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.0 p -75.44 146.99 40.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.016 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.527 ' NZ ' ' OD1' ' B' ' 64' ' ' ASN . 39.2 tptt -67.88 -30.01 69.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.34 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -56.62 -45.06 81.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.919 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -80.49 -28.59 37.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.703 HD13 ' C ' ' B' ' 33' ' ' LEU . 3.0 tm? -54.99 -49.81 70.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.579 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -51.0 -35.53 34.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.688 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.446 ' O ' ' OG1' ' B' ' 39' ' ' THR . 70.1 mm-40 -79.44 -27.5 41.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' B' ' 18' ' ' HIS . 19.9 tp -65.24 -56.4 12.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.644 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.68 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.34 -49.28 61.72 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.181 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.68 ' N ' HD12 ' B' ' 37' ' ' LEU . 7.2 pt20 -69.0 -25.65 64.62 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.987 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 21.3 m -71.31 -45.07 63.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.252 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -88.58 -27.18 21.54 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.257 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.93 47.25 1.85 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.83 0.347 . . . . 0.0 110.203 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 p -67.76 -39.36 84.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.631 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.82 -32.96 16.82 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -54.49 32.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.253 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.44 -8.56 47.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.777 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 33.8 t0 -94.7 -13.71 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.588 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.01 -1.57 48.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.727 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.584 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 0.9 OUTLIER -104.65 136.18 44.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.86 0.362 . . . . 0.0 110.736 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -94.91 -6.11 43.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.584 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 69.6 m-20 -70.01 106.23 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.637 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 81.8 t -78.52 -30.24 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.493 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -72.38 -36.72 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.645 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.5 69.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.72 -34.25 68.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -56.66 -43.73 80.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.465 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.9 -37.55 87.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 62.1 t -76.49 -30.62 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.585 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.2 ttt -74.66 -49.96 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.354 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -63.96 -31.66 72.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.572 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.37 -35.71 60.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.58 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.27 -38.6 87.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.516 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -72.3 -28.69 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.583 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -71.47 -38.35 71.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.25 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.552 ' C ' ' H ' ' B' ' 66' ' ' ASP . 1.1 m-80 -65.4 -96.65 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.419 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . 70.11 -24.83 0.43 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.552 ' H ' ' C ' ' B' ' 64' ' ' ASN . 54.5 t0 -37.56 -32.47 0.05 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.906 0.384 . . . . 0.0 110.102 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 101.27 -10.69 58.24 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' B' ' 28' ' ' LEU . 30.0 tp10 -141.75 132.89 26.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.944 0.402 . . . . 0.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.554 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.5 OUTLIER -93.9 -154.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.001 -179.642 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.554 ' H ' HG12 ' B' ' 69' ' ' VAL . 11.6 t70 -151.96 140.2 20.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.918 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -48.6 -53.0 20.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.96 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -58.4 -33.73 69.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.425 ' O ' HG12 ' B' ' 76' ' ' VAL . 71.1 mm-40 -75.58 -30.91 59.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.011 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.453 ' CE1' HG11 ' B' ' 78' ' ' VAL . 8.9 t80 -69.18 -42.66 75.56 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.961 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -72.17 -27.64 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.425 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.7 OUTLIER -75.5 -37.38 37.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 120.411 -0.515 . . . . 0.0 112.354 -178.439 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.593 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.8 pp -76.24 -42.33 46.2 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.554 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.593 ' N ' HD12 ' B' ' 77' ' ' LEU . 19.0 m -59.37 -35.5 58.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.368 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.92 -40.59 68.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.91 -28.16 22.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.601 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.1 mt -72.52 -34.14 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.598 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.6 m -70.51 -54.12 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.792 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.56 -24.78 34.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.57 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.58 11.12 4.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.3 t -134.49 -49.86 0.78 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.603 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -52.38 -32.61 39.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.579 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -63.18 -12.13 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.587 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 50.8 t80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.551 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.686 0.279 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.486 ' O ' ' OG1' ' A' ' 6' ' ' THR . 85.1 tt0 -56.25 -34.79 66.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.585 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.795 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.7 tm? -68.56 -47.58 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.222 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -61.92 -32.89 73.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 17.6 p -69.02 -36.91 78.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.654 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.43 72.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.421 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.0 mmm -69.27 -38.44 78.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.518 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.7 -35.1 60.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.7 m -60.36 -43.79 96.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.72 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -56.28 -31.21 63.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.583 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.2 mm -71.28 -44.5 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -60.29 -55.66 31.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.781 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.516 HG13 ' N ' ' A' ' 15' ' ' PHE . 13.2 p -62.36 -41.1 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.516 ' N ' HG13 ' A' ' 14' ' ' VAL . 81.2 t80 -59.76 -42.19 92.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.592 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' SER . 3.7 t-80 -73.23 -47.36 43.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.5 -38.71 6.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.807 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.579 ' CD2' HD13 ' A' ' 36' ' ' LEU . 60.6 m-70 -88.21 -11.92 45.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.738 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' HIS . 38.3 m -73.85 0.66 12.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.452 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.82 -13.05 83.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.58 ' O ' ' N ' ' A' ' 23' ' ' GLY . 26.1 mmtp -84.0 109.77 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.646 0.26 . . . . 0.0 110.512 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 23' ' ' GLY . 67.6 mm-40 59.93 -70.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.65 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 21' ' ' LYS . . . -35.52 158.08 0.01 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -82.99 -67.63 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.656 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -141.51 -63.68 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -91.62 5.89 47.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -103.37 136.35 43.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.527 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -140.16 120.95 14.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.182 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -57.46 144.9 34.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.298 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HD3' HG22 ' A' ' 69' ' ' VAL . 48.9 tptt -65.76 -35.94 82.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.125 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -57.28 -42.39 81.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.837 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -80.24 -28.68 38.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.74 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.1 tm? -62.92 -55.31 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.638 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -52.03 -34.65 44.09 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.628 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.42 -27.33 41.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' A' ' 18' ' ' HIS . 21.7 tp -65.22 -55.38 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.752 -179.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -50.72 -50.1 56.07 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.169 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.707 ' N ' HD12 ' A' ' 37' ' ' LEU . 12.8 pt20 -65.86 -25.66 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 110.793 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.8 m -75.26 -38.1 60.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.175 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -93.69 -27.32 16.61 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.508 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.4 HD22 HD12 ' A' ' 81' ' ' LEU . 7.0 mp -115.72 43.99 1.98 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 110.456 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.0 p -68.0 -27.25 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.754 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.48 -50.93 6.91 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' A' ' 46' ' ' ASP . 15.3 m-85 -48.77 -64.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.676 0.274 . . . . 0.0 110.813 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.46 -9.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.795 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 44' ' ' PHE . 56.1 t0 -105.47 -16.76 14.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.643 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.93 -2.84 28.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.609 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.562 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.8 pp0? -105.16 143.81 32.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.689 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -109.45 2.6 20.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.492 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.562 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 88.4 m-20 -73.33 106.07 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.744 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.4 t -73.47 -34.45 42.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.71 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -70.23 -37.2 74.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.48 -51.4 70.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.787 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.12 -33.04 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.608 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.1 -42.72 95.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.605 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -62.89 -38.22 90.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.685 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -77.21 -30.39 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.588 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.1 ttt -68.68 -50.94 47.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.241 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -66.37 -31.73 72.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.58 -31.3 46.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.602 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.47 -35.99 82.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -74.73 -27.81 60.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.76 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.14 -40.78 86.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.133 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -100.4 104.95 16.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.372 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -123.57 -4.54 8.12 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -41.84 -20.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.95 0.405 . . . . 0.0 110.372 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 99.65 -9.89 60.65 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -150.91 132.85 15.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.379 . . . . 0.0 110.635 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.472 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -92.41 -154.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.133 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.472 ' H ' HG12 ' A' ' 69' ' ' VAL . 18.8 t70 -142.96 148.24 36.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.216 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -50.5 -47.38 57.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -54.85 -33.51 61.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -75.49 -30.58 59.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.705 ' O ' HG13 ' A' ' 78' ' ' VAL . 29.4 t80 -69.39 -38.0 77.79 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.24 -179.263 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -75.58 -28.64 19.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.57 -40.36 33.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -78.58 -35.85 45.26 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.303 -0.559 . . . . 0.0 112.254 -178.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 74' ' ' TYR . 29.5 m -58.1 -40.17 75.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.498 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.444 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -73.89 -40.57 63.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.674 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.79 -29.06 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.677 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.4 HD12 HD22 ' A' ' 41' ' ' LEU . 95.2 mt -75.53 -35.87 60.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.691 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.8 m -66.25 -55.61 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.898 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -51.84 -25.52 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.26 28.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 t -146.81 -51.75 0.21 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.516 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -51.74 -31.82 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -44.43 -26.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.534 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.9 t80 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.517 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.471 ' O ' ' OG1' ' B' ' 6' ' ' THR . 85.1 tt0 -56.15 -34.9 66.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.794 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.7 tm? -68.5 -47.44 67.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -61.94 -33.0 73.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.515 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 17.8 p -69.01 -36.76 78.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.7 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.59 -41.33 73.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 49.0 mmm -69.36 -38.48 78.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.477 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.69 -35.0 60.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.557 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.9 m -60.4 -43.81 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.537 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.7 mm? -56.24 -31.42 63.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.485 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 10.0 mm -71.12 -44.53 74.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -60.32 -55.65 31.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.506 HG13 ' N ' ' B' ' 15' ' ' PHE . 13.0 p -62.19 -41.38 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.574 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.506 ' N ' HG13 ' B' ' 14' ' ' VAL . 81.1 t80 -59.63 -42.13 92.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' B' ' 19' ' ' SER . 3.8 t-80 -73.34 -47.35 43.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.45 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.57 -38.69 6.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.779 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.575 ' CD2' HD13 ' B' ' 36' ' ' LEU . 60.5 m-70 -88.14 -11.86 45.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.705 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.432 ' N ' ' O ' ' B' ' 16' ' ' HIS . 38.5 m -73.9 0.66 12.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.489 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.88 -13.04 83.83 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.573 ' O ' ' N ' ' B' ' 23' ' ' GLY . 26.1 mmtp -83.89 109.71 17.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.481 ' O ' ' O ' ' B' ' 23' ' ' GLY . 67.8 mm-40 59.95 -70.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.623 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' B' ' 21' ' ' LYS . . . -35.54 158.14 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -83.02 -67.55 0.78 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.748 0.309 . . . . 0.0 110.752 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -141.51 -63.52 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.482 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -91.75 5.82 48.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.468 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -103.17 136.47 42.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.553 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -140.23 120.73 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.276 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -57.2 144.94 33.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.307 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.41 ' HD3' HG22 ' B' ' 69' ' ' VAL . 48.9 tptt -65.84 -36.03 82.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.054 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -57.35 -42.24 81.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.869 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -80.36 -28.53 38.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.038 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.746 HD13 ' C ' ' B' ' 33' ' ' LEU . 3.1 tm? -63.02 -55.15 28.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.686 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -52.13 -34.75 45.84 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.565 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.45 ' O ' ' OG1' ' B' ' 39' ' ' THR . 43.8 mt-10 -79.25 -27.4 42.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.575 HD13 ' CD2' ' B' ' 18' ' ' HIS . 22.0 tp -65.1 -55.39 19.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.839 -179.077 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.72 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -50.84 -50.03 57.52 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.147 -178.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.72 ' N ' HD12 ' B' ' 37' ' ' LEU . 12.8 pt20 -65.88 -25.58 67.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.819 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 96.8 m -75.3 -38.06 60.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.235 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -93.87 -27.22 16.54 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.425 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -115.81 44.0 1.99 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.741 0.305 . . . . 0.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.1 p -67.97 -27.3 66.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.807 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.5 -50.89 6.94 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.431 ' C ' ' H ' ' B' ' 46' ' ' ASP . 15.6 m-85 -48.82 -64.69 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.756 -0.261 . . . . 0.0 110.931 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.6 -9.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.766 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' B' ' 44' ' ' PHE . 56.1 t0 -105.51 -16.71 14.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.604 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.9 -2.78 29.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.707 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.566 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.8 pp0? -105.27 143.81 32.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.621 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -109.41 2.54 20.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.497 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.566 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 88.4 m-20 -73.27 106.04 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.689 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 94.9 t -73.44 -34.48 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.751 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -70.28 -37.25 74.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.713 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.39 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.722 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.08 -33.11 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.08 -42.73 95.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.575 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -62.96 -38.23 90.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -77.14 -30.57 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.2 ttt -68.58 -50.98 47.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.259 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -66.39 -31.53 72.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.476 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.57 -31.58 47.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.489 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 17.1 mt -64.33 -35.99 82.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.481 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.8 -27.72 60.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.738 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.21 -40.73 86.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.216 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -100.42 105.0 16.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.353 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -123.54 -4.61 8.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -41.65 -20.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.995 0.426 . . . . 0.0 110.385 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 99.59 -9.63 60.64 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -150.97 133.15 15.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.93 0.395 . . . . 0.0 110.611 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.468 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.3 OUTLIER -93.6 -154.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.806 -179.547 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.468 ' H ' HG12 ' B' ' 69' ' ' VAL . 18.8 t70 -143.0 148.3 36.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.216 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.4 ' CE2' ' HB1' ' A' ' 79' ' ' ALA . 43.0 t80 -50.59 -47.25 58.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.854 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -54.96 -33.5 62.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.777 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -75.58 -30.58 59.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.157 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.696 ' O ' HG13 ' B' ' 78' ' ' VAL . 29.8 t80 -69.27 -38.02 78.18 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.396 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.56 -28.58 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -40.35 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.422 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -78.62 -35.97 44.8 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.319 -0.552 . . . . 0.0 112.134 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.696 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.4 m -58.07 -40.16 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.49 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.437 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -73.89 -40.49 63.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.751 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.97 -28.88 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.606 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -75.56 -35.8 60.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.784 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.1 m -66.36 -55.56 15.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.772 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -52.03 -25.4 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.571 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.36 28.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.645 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.8 t -146.89 -51.6 0.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -51.67 -31.94 27.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.515 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -44.46 -26.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.589 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 88.2 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.648 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.809 0.338 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -70.49 -32.0 69.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.636 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.582 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -61.72 -48.69 79.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.422 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.08 -31.23 67.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.38 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.9 m -68.97 -35.25 76.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.61 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.16 76.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.623 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.5 mmm -68.83 -33.36 73.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -58.16 -35.64 71.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.705 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.6 m -59.8 -38.24 81.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.607 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.6 mm? -64.78 -31.29 72.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.632 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.435 HG21 HD21 ' B' ' 86' ' ' ASN . 11.0 mm -71.01 -42.22 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.782 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -59.96 -55.44 33.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.3 p -62.85 -41.82 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.713 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.492 ' N ' HG13 ' A' ' 14' ' ' VAL . 94.0 t80 -59.47 -42.21 91.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.554 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -77.0 -24.73 52.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.606 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.04 96.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.479 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.628 ' NE2' HD13 ' A' ' 36' ' ' LEU . 56.7 m-70 -86.65 -12.93 47.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.366 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.5 m -65.8 -27.48 68.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.444 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.06 -10.66 78.29 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -61.86 -73.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.629 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -121.03 -35.97 3.22 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.84 171.63 4.51 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' A' ' 26' ' ' TYR . 81.2 m-20 -90.8 67.63 6.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.601 0.238 . . . . 0.0 110.625 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mttm 68.29 -44.67 0.51 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.039 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.428 ' H ' ' C ' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -100.17 -50.1 4.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.704 0.288 . . . . 0.0 110.485 -179.698 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HB2' ' H ' ' A' ' 24' ' ' ASP . 39.7 mtmt -61.91 170.51 2.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.55 HD23 HD12 ' A' ' 33' ' ' LEU . 26.8 tp -155.19 126.22 7.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.19 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.7 p -68.69 150.33 48.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.392 . . . . 0.0 111.221 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -65.99 -36.15 82.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.293 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.02 -39.35 74.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.739 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -81.63 -40.01 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.564 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.55 HD12 HD23 ' A' ' 28' ' ' LEU . 6.9 tt -64.6 -43.5 93.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.844 -178.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -52.13 -40.46 61.37 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.855 -179.329 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 94.4 mt-10 -79.9 -27.25 39.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.173 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.628 HD13 ' NE2' ' A' ' 18' ' ' HIS . 35.7 tp -63.97 -50.86 66.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.879 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.1 pp -50.63 -44.78 57.38 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.248 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.537 ' N ' HD12 ' A' ' 37' ' ' LEU . 12.4 pt20 -77.12 -25.46 52.13 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.987 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.1 m -66.76 -43.53 83.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.59 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -88.06 -26.82 22.35 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.509 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.61 44.97 1.91 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.732 0.301 . . . . 0.0 110.515 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -68.68 -28.07 66.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.37 -46.38 26.55 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.439 -0.664 . . . . 0.0 111.439 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.507 ' CZ ' HG23 ' A' ' 82' ' ' THR . 10.2 m-85 -53.29 -62.68 1.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.812 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -56.7 -9.09 0.68 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.8 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -103.22 -11.34 18.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.525 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.0 -2.5 15.06 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.965 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.7 pp0? -97.84 135.72 39.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.706 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -98.59 -15.28 19.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.503 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.517 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 85.9 m-20 -61.85 105.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.646 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.443 ' O ' ' CG ' ' A' ' 55' ' ' ASP . 78.9 t -78.89 -31.84 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.648 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -72.51 -33.36 66.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.705 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.72 -47.74 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.6 p -72.28 -32.13 41.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.667 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 51' ' ' VAL . 87.5 m-20 -57.48 -49.54 75.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.548 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -64.21 -33.86 76.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.673 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -76.96 -30.57 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.0 ttp -69.69 -51.54 33.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.455 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -64.12 -32.26 73.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.488 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.413 ' C ' ' OE1' ' A' ' 60' ' ' GLU . 13.7 tm-20 -53.53 -34.86 59.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.7 mt -71.12 -28.95 64.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.95 -49.83 41.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.112 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -65.27 -36.86 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.772 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -86.86 37.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.532 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.87 17.59 49.58 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.77 -42.15 34.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.547 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.27 -16.47 4.39 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -146.8 131.57 17.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.334 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.548 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.3 OUTLIER -93.31 -154.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.484 0.659 . . . . 0.0 111.383 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.548 ' H ' HG12 ' A' ' 69' ' ' VAL . 56.7 t0 -146.56 132.8 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.378 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -47.98 -46.38 32.49 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.392 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -52.35 -37.26 55.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.047 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.66 -30.45 59.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.565 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.699 ' O ' HG13 ' A' ' 78' ' ' VAL . 57.4 t80 -63.64 -40.64 97.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.1 m -75.51 -30.57 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -39.43 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.19 -34.37 49.54 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.91 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.2 m -62.78 -40.99 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.239 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.467 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -72.65 -39.91 66.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.25 -28.9 2.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.683 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.3 mt -75.17 -37.47 61.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.646 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.507 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 98.9 m -67.62 -55.37 13.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.772 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.0 p -57.77 -18.13 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.625 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.97 29.96 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.625 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 t -149.38 -50.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.421 HD21 HG21 ' B' ' 12' ' ' ILE . 38.7 m-20 -51.77 -34.5 39.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.69 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -47.95 -22.19 0.55 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.7 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.5 t80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.6 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.762 0.315 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -70.7 -31.92 68.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.532 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.593 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -61.91 -48.5 80.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.33 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.31 -31.13 67.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.303 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.3 m -68.97 -35.3 76.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.629 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.13 75.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.65 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 66.6 mmm -68.82 -33.44 73.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.485 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -58.05 -35.77 71.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.745 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.2 m -59.79 -38.02 80.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.998 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.619 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.6 mm? -64.85 -31.3 72.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.635 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.421 HG21 HD21 ' A' ' 86' ' ' ASN . 10.8 mm -70.95 -42.26 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.799 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -60.01 -55.44 34.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.494 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.1 p -62.9 -41.84 94.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.624 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.494 ' N ' HG13 ' B' ' 14' ' ' VAL . 94.0 t80 -59.38 -42.19 91.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.616 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -77.02 -24.73 52.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.18 96.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.623 ' NE2' HD13 ' B' ' 36' ' ' LEU . 57.1 m-70 -86.54 -12.97 47.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.451 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.0 m -65.66 -27.64 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.501 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.93 -10.65 77.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -62.0 -73.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.764 0.316 . . . . 0.0 110.627 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -121.09 -35.99 3.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.488 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.73 171.59 4.41 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -90.91 67.64 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.589 0.233 . . . . 0.0 110.566 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 mttm 68.25 -44.49 0.5 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.963 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -100.2 -50.16 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.531 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -61.9 170.61 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.546 HD23 HD12 ' B' ' 33' ' ' LEU . 27.4 tp -155.3 126.1 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.275 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 85.3 p -68.65 150.49 47.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.401 ' HZ3' ' HB3' ' B' ' 64' ' ' ASN . 44.4 tptt -66.08 -36.1 82.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.263 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.483 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.12 -39.25 74.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.84 -179.767 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -81.55 -40.13 23.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.644 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.546 HD12 HD23 ' B' ' 28' ' ' LEU . 6.9 tt -64.47 -43.44 94.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.908 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.439 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 0.2 OUTLIER -52.14 -40.44 61.38 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.908 -179.325 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 94.4 mt-10 -79.9 -27.38 39.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.193 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.623 HD13 ' NE2' ' B' ' 18' ' ' HIS . 35.1 tp -63.95 -50.77 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.875 -178.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.532 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.1 pp -50.69 -44.78 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.247 -179.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.532 ' N ' HD12 ' B' ' 37' ' ' LEU . 12.4 pt20 -76.81 -25.73 53.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.794 0.33 . . . . 0.0 111.084 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.7 m -66.68 -43.64 83.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.586 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -87.97 -26.87 22.44 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.504 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.62 44.93 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.473 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 1.1 m -68.5 -28.27 66.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.28 -46.47 26.69 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.51 ' CZ ' HG23 ' B' ' 82' ' ' THR . 10.3 m-85 -53.22 -62.67 1.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.666 0.269 . . . . 0.0 110.873 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -56.78 -9.01 0.68 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.747 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.403 ' OD2' ' O ' ' B' ' 42' ' ' SER . 58.3 m-20 -103.32 -11.3 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.543 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.09 -2.63 14.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.864 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.515 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.7 pp0? -97.81 135.63 39.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.648 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -98.59 -15.26 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.486 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.515 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 86.1 m-20 -61.8 105.16 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' VAL . . . . . 0.442 ' O ' ' CG ' ' B' ' 55' ' ' ASP . 79.4 t -78.81 -31.86 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.668 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -72.59 -33.32 66.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.66 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.6 -47.8 77.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.7 p -72.24 -32.09 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.696 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' B' ' 51' ' ' VAL . 87.2 m-20 -57.46 -49.52 75.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.559 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -64.2 -33.95 76.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.587 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.5 t -76.94 -30.6 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.708 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.1 ttp -69.69 -51.42 34.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.478 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -64.16 -32.29 73.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.491 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.421 ' OE1' ' C ' ' B' ' 60' ' ' GLU . 13.7 tm-20 -53.51 -34.85 59.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 25.3 mt -71.17 -28.9 64.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.91 -50.02 39.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.094 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -65.2 -36.82 85.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.837 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.401 ' HB3' ' HZ3' ' B' ' 30' ' ' LYS . 10.4 m120 -86.81 37.87 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.563 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.81 17.6 49.2 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.85 -41.93 34.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.743 0.306 . . . . 0.0 110.51 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.12 -16.33 4.44 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -146.69 131.88 18.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.763 0.316 . . . . 0.0 110.312 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.547 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.4 OUTLIER -95.19 -153.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.174 0.511 . . . . 0.0 111.056 -179.676 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.547 ' H ' HG12 ' B' ' 69' ' ' VAL . 56.4 t0 -146.4 132.97 19.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.43 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.405 ' CZ ' ' CD1' ' B' ' 12' ' ' ILE . 34.8 t80 -47.92 -46.5 32.05 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.5 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -52.3 -37.21 55.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.092 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.76 -30.54 59.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.471 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.697 ' O ' HG13 ' B' ' 78' ' ' VAL . 57.9 t80 -63.63 -40.58 97.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.412 HG22 ' H ' ' B' ' 75' ' ' VAL . 31.0 m -75.54 -30.52 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -39.44 32.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.24 -34.3 49.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.908 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.697 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.1 m -62.66 -41.03 90.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.274 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.472 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -72.76 -39.91 66.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.808 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.23 -28.87 2.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.661 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.1 mt -75.19 -37.45 61.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.705 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.51 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 99.2 m -67.68 -55.35 13.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.706 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 9.1 p -57.91 -18.04 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.608 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.95 30.01 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 34.8 t -149.48 -50.43 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.435 HD21 HG21 ' A' ' 12' ' ' ILE . 38.6 m-20 -51.89 -34.5 41.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.627 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -47.84 -22.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.723 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.2 t80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.748 -179.869 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.803 0.335 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' A' ' 6' ' ' THR . 93.1 mt-10 -57.46 -33.81 68.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.645 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.784 HD13 ' C ' ' A' ' 4' ' ' LEU . 3.0 tm? -67.95 -48.68 65.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.088 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.76 -37.74 76.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.7 p -64.3 -35.13 79.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.534 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.49 -41.49 73.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.44 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.3 mmm -69.37 -36.87 77.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.396 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -57.21 -33.65 67.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.1 m -60.63 -42.47 96.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.616 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.598 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -59.21 -31.5 69.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.534 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.9 mm -70.87 -44.28 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -59.97 -55.58 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 15' ' ' PHE . 12.0 p -60.22 -36.74 70.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.615 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.42 ' N ' HG13 ' A' ' 14' ' ' VAL . 43.0 t80 -60.85 -42.85 98.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -84.64 -18.64 34.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.714 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.93 73.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.444 ' CD2' HD13 ' A' ' 36' ' ' LEU . 66.6 m-70 -93.38 -11.57 31.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.918 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 54.1 m -73.93 -1.59 20.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.494 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.66 -0.35 87.89 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -72.55 -79.59 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -106.06 -45.38 4.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.94 171.85 9.22 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -91.06 -61.08 1.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.904 0.383 . . . . 0.0 110.619 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -141.18 -91.95 0.15 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.604 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.68 2.43 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.3 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -96.39 134.54 39.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.742 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.9 tp -140.58 120.64 13.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.341 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.22 146.87 40.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -68.84 -29.75 68.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.322 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -56.41 -44.55 80.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.98 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -80.49 -28.48 37.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.681 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.4 tm? -55.28 -53.15 59.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.827 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -51.34 -36.39 42.63 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.651 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -79.39 -27.16 41.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.783 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 18' ' ' HIS . 21.2 tp -66.83 -56.37 10.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.932 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.53 -48.94 62.83 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.314 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.7 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.3 pt20 -66.33 -25.67 66.94 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.868 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.1 m -74.12 -37.68 64.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.144 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.59 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 1.5 mp0 -93.38 -26.49 17.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.857 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.45 46.04 2.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 110.466 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -68.31 -33.42 74.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.604 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.71 -39.92 7.95 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.57 -61.75 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 110.372 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.39 -10.62 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.672 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -96.61 -16.6 20.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.587 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.63 -2.83 43.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.639 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.513 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.7 pp0? -105.29 136.07 45.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.54 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -99.92 -0.48 39.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.513 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 62.4 m-20 -75.01 96.36 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.98 -27.35 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.627 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -73.33 -35.11 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.704 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.23 -51.54 63.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -66.97 -35.4 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.558 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -57.58 -44.16 85.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -62.52 -39.24 92.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.684 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -74.83 -30.68 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.679 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 31.6 ttp -72.75 -50.02 27.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.474 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.64 -31.68 72.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -53.01 -32.98 49.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.26 -40.46 90.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.57 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -66.35 -34.94 79.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.502 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -68.58 -38.37 80.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.122 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -101.19 94.04 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.242 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -121.23 -3.93 10.32 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' GLY . 42.2 t0 -37.89 -26.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.901 0.381 . . . . 0.0 110.487 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 101.29 -6.05 55.75 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -142.97 132.18 23.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.064 0.459 . . . . 0.0 110.528 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.606 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.62 -154.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.341 -179.483 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.606 ' H ' HG12 ' A' ' 69' ' ' VAL . 23.7 m-20 -152.74 143.91 23.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.912 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -49.05 -53.16 21.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.752 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -55.88 -33.5 64.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.709 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' O ' HD23 ' A' ' 77' ' ' LEU . 71.5 mm-40 -75.19 -30.94 60.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.961 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.488 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.6 t80 -70.74 -42.04 71.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.845 0.355 . . . . 0.0 111.062 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.8 m -74.87 -27.84 20.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.55 -39.86 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.5 pp -77.26 -34.76 55.69 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.076 -0.649 . . . . 0.0 111.79 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 79' ' ' ALA . 30.6 m -63.21 -44.47 99.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.479 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.494 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -70.52 -34.65 72.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.699 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.52 -26.13 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.504 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.7 mt -75.54 -38.1 59.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.685 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.9 m -62.05 -55.46 28.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.781 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -47.1 -38.69 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.653 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -24.66 68.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.661 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.9 t -81.57 -60.3 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.637 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' A' ' 88' ' ' PHE . 5.5 m120 -48.46 -28.75 3.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.662 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -46.77 -12.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.768 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 86' ' ' ASN . 37.9 t80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.418 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.887 0.375 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.463 ' O ' ' OG1' ' B' ' 6' ' ' THR . 92.9 mt-10 -57.33 -33.89 68.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.675 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.784 HD13 ' C ' ' B' ' 4' ' ' LEU . 3.0 tm? -67.98 -48.67 65.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.036 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.84 -37.69 77.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 23.7 p -64.4 -34.87 79.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.69 -41.31 73.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.49 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mmm -69.47 -36.83 76.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.404 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -56.93 -33.87 67.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.586 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 24.1 m -60.71 -42.36 97.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.696 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.592 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -59.33 -31.35 69.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 11.1 mm -71.03 -44.18 75.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -60.04 -55.64 31.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.407 HG13 ' N ' ' B' ' 15' ' ' PHE . 11.9 p -60.18 -36.73 69.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.407 ' N ' HG13 ' B' ' 14' ' ' VAL . 43.7 t80 -60.82 -42.93 98.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.666 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -84.55 -18.64 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.736 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.57 -35.99 73.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.799 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.437 ' CD2' HD13 ' B' ' 36' ' ' LEU . 66.7 m-70 -93.29 -11.75 31.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.958 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.3 m -73.86 -1.61 20.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.62 -0.4 87.94 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -72.43 -79.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.656 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -106.13 -45.29 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.13 171.97 9.51 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -91.21 -60.99 1.76 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.82 0.343 . . . . 0.0 110.503 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' B' ' 27' ' ' LYS . 74.8 mttt -141.19 -91.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.88 2.53 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.232 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' B' ' 25' ' ' LYS . 37.5 mtmt -96.48 134.5 39.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.706 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 tp -140.47 120.84 14.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.392 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.54 146.86 40.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.013 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -68.65 -29.79 68.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.32 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -56.47 -44.81 80.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.745 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -80.3 -28.49 38.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.653 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.67 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.4 tm? -55.1 -53.39 56.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -51.11 -36.51 40.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.638 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -79.35 -27.18 41.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.725 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.437 HD13 ' CD2' ' B' ' 18' ' ' HIS . 20.9 tp -66.91 -56.45 10.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.805 -178.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.699 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.41 -48.98 62.47 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.335 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.699 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.3 pt20 -66.41 -25.66 66.86 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.865 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 67.1 m -74.09 -37.7 64.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.134 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.578 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 1.5 mp0 -93.42 -26.48 17.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.859 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.49 46.06 2.07 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 110.336 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -68.39 -33.27 73.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.631 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.74 -40.01 7.89 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.61 -61.7 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.661 0.267 . . . . 0.0 110.443 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -61.32 -10.55 7.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.725 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -96.6 -16.68 20.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.601 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.66 -2.83 43.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.602 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.7 pp0? -105.13 136.05 45.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.69 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -99.95 -0.48 39.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.52 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 62.9 m-20 -75.06 96.34 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.479 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.95 -27.47 37.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.51 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -73.21 -35.23 66.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.677 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.13 -51.48 63.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -67.05 -35.36 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.619 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -57.65 -44.12 85.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.547 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -62.41 -39.46 93.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.624 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.81 -30.58 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.677 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 31.5 ttp -72.92 -49.95 26.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.46 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.59 -31.66 72.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -52.94 -33.1 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.27 -40.43 90.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.482 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.48 -34.77 78.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.449 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -68.63 -38.46 80.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.042 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -101.12 93.95 5.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.342 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -121.12 -3.9 10.43 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' B' ' 65' ' ' GLY . 42.2 t0 -37.93 -26.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.793 0.33 . . . . 0.0 110.433 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 101.31 -6.65 56.02 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -141.75 132.3 25.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 0.0 110.737 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.593 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -93.7 -155.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.135 -179.456 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.593 ' H ' HG12 ' B' ' 69' ' ' VAL . 23.4 m-20 -152.28 144.07 23.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.826 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -49.05 -53.3 20.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.768 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -55.81 -33.46 64.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.735 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.414 ' O ' HD23 ' B' ' 77' ' ' LEU . 71.5 mm-40 -75.34 -30.7 60.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.49 ' O ' HG13 ' B' ' 78' ' ' VAL . 18.6 t80 -70.84 -42.05 70.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.731 0.301 . . . . 0.0 110.997 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.3 m -74.84 -27.98 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.974 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -39.93 34.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.418 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -77.15 -34.71 56.46 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.823 -178.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.49 HG13 ' O ' ' B' ' 74' ' ' TYR . 31.0 m -63.24 -44.47 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.507 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.49 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -70.57 -34.53 72.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.762 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.53 -26.17 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.515 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.41 -38.25 59.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.745 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 53.0 m -62.1 -55.29 30.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -47.14 -38.73 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.688 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.8 -24.81 67.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.682 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 7.8 t -81.57 -60.18 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.687 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' B' ' 88' ' ' PHE . 5.5 m120 -48.6 -28.84 3.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.422 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -46.77 -12.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.685 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' B' ' 86' ' ' ASN . 37.6 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.554 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.697 0.284 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.53 -33.1 73.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.449 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.589 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -63.52 -48.68 76.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.417 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -69.2 -31.53 70.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.37 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.1 m -69.49 -36.14 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.7 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.57 74.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.655 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.8 mmm -67.09 -39.74 86.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.463 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -54.16 -34.51 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.625 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.467 HG22 HD22 ' B' ' 4' ' ' LEU . 18.5 m -59.98 -38.97 84.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.62 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.6 mm? -63.97 -31.31 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.639 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 mm -71.11 -40.31 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -59.9 -55.19 37.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.787 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.3 p -60.64 -43.47 94.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.505 ' N ' HG13 ' A' ' 14' ' ' VAL . 66.0 t80 -55.45 -38.75 69.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.527 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -84.62 -17.8 37.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.685 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.09 -37.19 64.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.651 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.679 ' CD2' HD13 ' A' ' 36' ' ' LEU . 40.6 m-70 -90.09 -9.56 47.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.731 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.2 m -77.43 6.5 6.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.518 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.91 -6.26 62.09 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -73.34 -74.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.947 0.403 . . . . 0.0 110.524 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -136.53 64.44 1.55 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.407 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ASP . . . -168.76 135.04 3.43 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 23' ' ' GLY . 91.7 m-20 -36.86 -77.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.549 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 26' ' ' TYR . 17.2 pttp -160.58 -41.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.412 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' OH ' HG23 ' B' ' 83' ' ' VAL . 0.1 OUTLIER -100.84 17.96 20.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.04 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -129.64 138.23 51.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.452 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 33' ' ' LEU . 31.6 tp -134.19 130.54 37.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.243 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.461 ' HG ' ' HG2' ' A' ' 32' ' ' GLU . 32.5 p -69.15 150.79 47.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.33 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HZ3' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -64.95 -43.88 91.26 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.264 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -33.77 66.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.56 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' HG2' ' HG ' ' A' ' 29' ' ' SER . 72.6 mm-40 -80.35 -49.98 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.454 HD12 HD23 ' A' ' 28' ' ' LEU . 7.4 tt -57.59 -34.83 69.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.76 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -52.46 -45.18 65.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.44 ' O ' ' OG1' ' A' ' 39' ' ' THR . 74.5 mm-40 -79.37 -27.25 41.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.444 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.679 HD13 ' CD2' ' A' ' 18' ' ' HIS . 42.1 tp -59.25 -54.76 43.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.914 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.0 pp -50.49 -47.77 57.06 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.093 -0.243 . . . . 0.0 111.387 -178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.654 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.0 pt20 -74.66 -25.85 59.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.783 0.325 . . . . 0.0 111.058 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 58.5 m -68.06 -38.77 82.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.284 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.439 ' OE1' ' CB ' ' B' ' 4' ' ' LEU . 64.7 mm-40 -92.85 -26.53 17.62 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.321 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.56 46.14 1.79 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.717 0.294 . . . . 0.0 110.489 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 t -68.38 -28.77 67.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.16 -53.29 9.3 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.402 ' C ' ' H ' ' A' ' 46' ' ' ASP . 23.3 m-85 -45.82 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.712 0.291 . . . . 0.0 110.977 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.06 -9.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.851 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 44' ' ' PHE . 16.1 t70 -104.97 -14.8 15.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.649 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.74 -2.88 19.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.68 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.586 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.2 pp0? -103.77 138.98 39.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.557 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -98.53 -16.05 19.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.586 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 40.4 m-20 -61.16 99.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.498 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.1 t -76.75 -34.88 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.683 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -69.54 -34.68 74.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.762 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.58 -51.6 64.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.749 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.3 p -70.71 -31.97 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.63 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -55.14 -48.11 74.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.552 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.41 -34.82 79.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.521 HG11 HD21 ' A' ' 81' ' ' LEU . 92.2 t -75.62 -30.6 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.587 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 29.7 ttp -71.82 -51.49 22.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.474 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.4 pttt -63.12 -31.51 72.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -55.91 -35.06 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.524 HD23 ' HZ3' ' A' ' 30' ' ' LYS . 22.6 mt -64.76 -35.97 82.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -74.82 -27.57 60.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.652 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -72.01 -34.39 68.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.428 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -94.02 51.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.53 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.455 ' C ' ' N ' ' A' ' 67' ' ' GLY . . . -81.79 8.73 58.84 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -47.65 -16.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.811 0.339 . . . . 0.0 110.583 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.455 ' N ' ' C ' ' A' ' 65' ' ' GLY . . . 99.67 -12.04 61.16 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -150.46 132.04 14.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.041 0.448 . . . . 0.0 110.412 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.466 HG22 ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -93.13 -154.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.414 0.626 . . . . 0.0 111.302 -179.735 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.463 ' H ' HG12 ' A' ' 69' ' ' VAL . 48.9 m-20 -145.25 133.19 21.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.549 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -48.13 -47.55 34.59 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.565 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -51.47 -37.71 50.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.379 . . . . 0.0 110.082 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -75.69 -30.51 59.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.576 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.708 ' O ' HG13 ' A' ' 78' ' ' VAL . 49.4 t80 -63.33 -40.21 96.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.51 -30.15 21.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.8 -39.57 31.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.35 -34.45 48.42 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.933 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.1 m -62.26 -41.83 92.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.408 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.468 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -72.01 -38.29 69.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.704 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.27 -24.21 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.517 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.521 HD21 HG11 ' A' ' 57' ' ' VAL . 54.9 mt -75.88 -36.36 59.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.647 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 85' ' ' CYS . 50.2 m -72.33 -55.73 6.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.454 HG23 ' OH ' ' B' ' 26' ' ' TYR . 5.1 p -48.33 -25.82 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 110.505 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.21 -30.89 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.505 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 82' ' ' THR . 25.6 t -73.43 -50.05 23.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.643 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 88' ' ' PHE . 1.3 m120 -53.45 -35.92 61.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.489 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -46.01 -14.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 86' ' ' ASN . 53.8 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.509 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.842 0.353 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.48 -33.14 73.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.585 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -63.4 -48.77 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -69.05 -31.71 70.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.361 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 27.0 m -69.46 -36.12 76.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.672 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.47 -42.49 74.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.71 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.8 mmm -67.04 -39.96 87.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.384 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -54.1 -34.45 60.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.623 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.472 HG22 HD22 ' A' ' 4' ' ' LEU . 19.0 m -60.0 -39.13 84.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.747 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.624 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.6 mm? -63.79 -31.46 72.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.535 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.4 mm -71.04 -40.3 75.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -59.98 -55.42 34.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.59 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.508 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.3 p -60.43 -43.45 94.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.508 ' N ' HG13 ' B' ' 14' ' ' VAL . 65.8 t80 -55.42 -38.78 69.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.641 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -84.61 -17.95 37.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.548 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.93 -37.18 64.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.683 ' CD2' HD13 ' B' ' 36' ' ' LEU . 40.2 m-70 -90.2 -9.51 47.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.635 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.1 m -77.47 6.57 6.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.547 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.01 -6.14 62.02 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -73.43 -74.6 0.17 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.794 0.33 . . . . 0.0 110.613 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -136.68 64.38 1.55 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.41 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' B' ' 24' ' ' ASP . . . -168.66 135.03 3.43 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' B' ' 23' ' ' GLY . 92.0 m-20 -36.93 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.601 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' B' ' 26' ' ' TYR . 17.3 pttp -160.59 -41.17 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.361 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.454 ' OH ' HG23 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -100.73 17.78 21.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.049 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -129.52 138.27 51.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.467 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.462 HD23 HD12 ' B' ' 33' ' ' LEU . 31.9 tp -134.17 130.53 37.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.213 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.472 ' HG ' ' HG2' ' B' ' 32' ' ' GLU . 32.7 p -69.24 150.81 47.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.363 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.586 ' HZ3' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -64.92 -43.8 91.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.286 179.717 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -33.78 66.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.524 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.472 ' HG2' ' HG ' ' B' ' 29' ' ' SER . 72.5 mm-40 -80.32 -50.01 10.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.462 HD12 HD23 ' B' ' 28' ' ' LEU . 7.3 tt -57.5 -34.9 69.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.792 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -52.45 -45.09 65.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -79.37 -27.38 41.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.371 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.683 HD13 ' CD2' ' B' ' 18' ' ' HIS . 41.9 tp -59.02 -54.86 42.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -178.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.644 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.0 pp -50.53 -47.71 57.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.418 -178.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.644 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.0 pt20 -74.79 -25.61 59.17 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.007 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 57.7 m -68.16 -38.9 82.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.201 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.443 ' OE1' ' CB ' ' A' ' 4' ' ' LEU . 65.1 mm-40 -92.73 -26.58 17.69 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.365 -179.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.68 46.22 1.78 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.703 0.287 . . . . 0.0 110.393 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.5 t -68.4 -29.01 67.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.772 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.93 -53.39 9.52 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.411 ' C ' ' H ' ' B' ' 46' ' ' ASP . 22.9 m-85 -45.94 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.584 0.23 . . . . 0.0 110.909 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.11 -9.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.746 0.308 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' B' ' 44' ' ' PHE . 16.1 t70 -104.9 -14.73 15.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.676 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.78 -3.09 19.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.637 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.583 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.2 pp0? -103.61 139.05 39.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.574 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -98.73 -15.98 19.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.583 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 39.3 m-20 -60.99 99.16 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.723 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 71.3 t -76.67 -34.92 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.699 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -69.44 -34.72 74.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.767 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.7 -51.5 64.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.1 p -70.74 -31.99 47.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.704 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -54.96 -48.27 73.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.525 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -64.33 -34.79 78.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.653 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.516 HG11 HD21 ' B' ' 81' ' ' LEU . 92.2 t -75.6 -30.52 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.647 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 29.6 ttp -71.94 -51.49 21.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.46 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -62.96 -31.61 72.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -55.82 -35.23 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.594 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.586 HD23 ' HZ3' ' B' ' 30' ' ' LYS . 22.2 mt -64.59 -35.98 82.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -74.88 -27.52 60.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.645 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -71.98 -34.59 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.426 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -93.9 51.63 1.56 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.523 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.451 ' C ' ' N ' ' B' ' 67' ' ' GLY . . . -81.84 8.63 59.28 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -47.6 -16.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.472 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' B' ' 65' ' ' GLY . . . 99.62 -11.78 61.23 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -150.45 132.36 15.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.472 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.452 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.2 OUTLIER -94.81 -154.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.952 -179.263 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.452 ' H ' HG12 ' B' ' 69' ' ' VAL . 48.9 m-20 -144.94 133.28 21.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.622 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -48.2 -47.59 35.37 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.484 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -51.4 -37.74 49.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 0.0 110.087 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -75.75 -30.52 59.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.531 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.696 ' O ' HG13 ' B' ' 78' ' ' VAL . 49.6 t80 -63.12 -40.36 97.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.939 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.4 m -75.45 -30.2 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.74 -39.62 31.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.25 -34.46 49.07 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.006 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.696 HG13 ' O ' ' B' ' 74' ' ' TYR . 26.9 m -62.2 -41.92 93.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.43 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.472 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -71.91 -38.26 69.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.747 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.27 -24.44 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.511 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.516 HD21 HG11 ' B' ' 57' ' ' VAL . 54.2 mt -75.61 -36.47 60.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.8 m -72.22 -55.83 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.458 HG23 ' OH ' ' A' ' 26' ' ' TYR . 5.1 p -48.35 -25.76 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.55 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.86 65.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.465 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.5 t -73.44 -50.13 23.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.576 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' B' ' 88' ' ' PHE . 1.3 m120 -53.44 -35.83 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -46.07 -14.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.512 ' N ' ' O ' ' B' ' 86' ' ' ASN . 53.8 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.499 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.748 0.308 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.18 -34.91 74.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.787 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.8 tm? -58.47 -47.99 82.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.147 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.7 -32.55 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.1 m -66.64 -36.32 82.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.67 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.43 -43.46 75.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.5 mmm -67.96 -38.03 82.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.596 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -54.3 -36.32 63.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -59.64 -43.59 93.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -56.55 -31.1 63.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.384 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.2 mm -70.63 -44.69 76.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.694 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -60.83 -55.69 30.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.518 HG13 ' N ' ' A' ' 15' ' ' PHE . 10.5 p -58.52 -43.03 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.518 ' N ' HG13 ' A' ' 14' ' ' VAL . 85.5 t80 -60.48 -38.65 84.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -71.03 -56.0 7.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.756 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.13 -46.58 11.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.032 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.529 ' CD2' HD13 ' A' ' 36' ' ' LEU . 63.4 m-70 -72.58 -34.81 67.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.732 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 68.1 m -65.04 -16.91 63.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.538 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.26 2.35 7.34 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -76.82 -106.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.749 0.309 . . . . 0.0 110.515 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -79.85 -35.13 38.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.613 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.14 151.38 51.57 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.432 ' H ' ' HE2' ' A' ' 27' ' ' LYS . 60.2 t0 -61.86 -52.31 64.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.698 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.4 pttt -170.27 -45.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.19 26.95 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.199 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HE2' ' H ' ' A' ' 24' ' ' ASP . 36.6 mtmt -131.8 139.84 49.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.252 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 tp -129.91 114.74 16.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.455 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.431 ' OG ' ' CG ' ' A' ' 32' ' ' GLU . 61.6 p -57.3 158.1 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.361 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.423 ' NZ ' ' CG1' ' A' ' 69' ' ' VAL . 0.3 OUTLIER -68.81 -48.07 64.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.687 179.708 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.09 -46.98 82.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.888 -179.561 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' CG ' ' OG ' ' A' ' 29' ' ' SER . 30.0 mm-40 -63.94 -40.27 96.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.866 0.365 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.787 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.7 tm? -60.33 -44.73 95.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.287 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -52.59 -45.06 66.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.733 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -78.64 -27.11 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.311 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.529 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.9 tp -58.52 -56.29 24.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.916 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -50.87 -50.4 57.13 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.463 -178.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.7 ' N ' HD12 ' A' ' 37' ' ' LEU . 3.4 pt20 -68.37 -25.54 65.13 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.802 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.8 m -73.7 -38.79 64.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.249 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -93.78 -27.18 16.62 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.507 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.69 46.32 1.95 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.843 0.354 . . . . 0.0 110.541 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -68.55 -27.3 65.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.805 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.79 -49.59 10.24 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.415 ' C ' ' H ' ' A' ' 46' ' ' ASP . 14.7 m-85 -50.65 -63.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.953 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.53 -8.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.983 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 44' ' ' PHE . 45.8 m-20 -105.44 -11.35 16.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.631 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.34 -2.66 14.74 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.954 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.587 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.5 pp0? -94.98 150.24 20.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.659 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.5 mttp -116.76 -1.5 12.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.537 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.587 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 56.5 m-20 -81.18 105.79 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.9 t -78.91 -24.91 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.593 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -74.6 -33.49 62.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.623 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.73 -51.61 53.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.725 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 p -65.64 -32.49 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.667 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -58.08 -45.8 86.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -66.26 -34.44 78.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.507 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.413 HG11 HD21 ' A' ' 81' ' ' LEU . 93.8 t -76.81 -30.67 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.711 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.0 ttm -70.91 -49.73 42.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.407 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -64.92 -31.74 73.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -53.65 -33.77 56.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.636 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.42 -39.11 92.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.599 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -72.12 -27.47 62.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.792 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -71.07 -36.89 72.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.456 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.536 ' C ' ' H ' ' A' ' 66' ' ' ASP . 5.1 m120 -93.86 28.43 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.681 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -55.44 -2.62 0.29 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' A' ' 64' ' ' ASN . 47.4 t0 -41.34 -18.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.801 0.334 . . . . 0.0 110.579 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.569 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 97.6 -1.2 59.94 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -162.89 132.23 4.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.379 . . . . 0.0 110.604 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.423 ' CG1' ' NZ ' ' A' ' 30' ' ' LYS . 20.9 m -92.43 -171.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.991 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -126.72 154.5 44.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.114 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -52.35 -48.16 65.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.691 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -57.85 -33.43 68.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.661 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 77' ' ' LEU . 75.2 mm-40 -74.54 -30.95 61.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.65 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.2 t80 -70.08 -41.5 74.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.127 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.0 m -75.26 -27.96 20.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.67 -39.54 32.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.7 pp -78.44 -35.1 47.34 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.145 -0.622 . . . . 0.0 112.189 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 74' ' ' TYR . 31.0 m -58.51 -41.04 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.393 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.449 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -75.38 -36.77 60.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.694 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.28 -30.36 27.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.529 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.413 HD21 HG11 ' A' ' 57' ' ' VAL . 81.9 mt -74.88 -38.94 61.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.8 m -64.95 -54.41 31.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.696 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.3 p -53.65 -32.47 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.539 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.57 38.8 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.659 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.5 t -154.08 -54.59 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.549 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -57.34 -30.47 64.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -48.8 -30.44 5.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.7 t80 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.62 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.831 0.348 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.14 -34.87 74.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.795 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.8 tm? -58.45 -48.02 82.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.134 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.65 -32.62 72.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.1 m -66.71 -36.27 82.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.33 75.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.647 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.8 mmm -68.08 -37.87 81.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.574 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -54.36 -36.36 63.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.9 m -59.6 -43.68 93.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.705 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.553 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -56.44 -31.17 63.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.8 mm -70.47 -44.79 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.761 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -60.74 -55.63 30.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.025 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.521 HG13 ' N ' ' B' ' 15' ' ' PHE . 10.5 p -58.7 -42.94 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.753 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.521 ' N ' HG13 ' B' ' 14' ' ' VAL . 86.2 t80 -60.59 -38.57 85.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.588 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -71.04 -56.02 7.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.765 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.11 -46.5 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.017 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.535 ' CD2' HD13 ' B' ' 36' ' ' LEU . 62.8 m-70 -72.75 -34.7 67.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.747 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.3 m -65.09 -16.84 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.566 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.21 2.32 7.29 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -76.77 -106.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 110.487 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -79.91 -35.19 38.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.539 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.2 151.41 51.59 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.421 ' H ' ' HE2' ' B' ' 27' ' ' LYS . 60.3 t0 -61.86 -52.41 64.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.593 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -170.19 -45.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.661 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.19 27.0 8.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.133 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.421 ' HE2' ' H ' ' B' ' 24' ' ' ASP . 36.6 mtmt -131.74 139.8 49.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.317 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.4 tp -129.92 114.84 16.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.328 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.433 ' OG ' ' CG ' ' B' ' 32' ' ' GLU . 61.5 p -57.5 158.09 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.366 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.424 ' HZ2' HG12 ' B' ' 69' ' ' VAL . 0.2 OUTLIER -68.79 -48.05 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.599 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.492 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.1 -46.98 82.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.885 -179.515 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.433 ' CG ' ' OG ' ' B' ' 29' ' ' SER . 30.0 mm-40 -63.88 -40.38 96.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.928 0.394 . . . . 0.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.778 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.7 tm? -60.22 -44.91 94.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.314 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -52.51 -44.97 66.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.668 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -78.79 -27.08 44.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.237 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.535 HD13 ' CD2' ' B' ' 18' ' ' HIS . 21.1 tp -58.45 -56.26 24.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.935 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.692 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -50.78 -50.46 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.518 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.692 ' N ' HD12 ' B' ' 37' ' ' LEU . 3.4 pt20 -68.47 -25.48 65.0 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.746 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 74.3 m -73.67 -38.9 64.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.198 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -93.78 -27.14 16.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.51 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.72 46.13 2.0 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.517 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -68.32 -27.34 66.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.94 -49.49 9.85 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.419 ' C ' ' H ' ' B' ' 46' ' ' ASP . 14.4 m-85 -50.63 -63.57 1.08 Allowed 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.833 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -55.51 -8.32 0.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.021 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' B' ' 44' ' ' PHE . 45.9 m-20 -105.54 -11.32 16.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.636 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.38 -2.67 14.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.965 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.578 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.5 pp0? -94.95 150.37 20.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.732 0.301 . . . . 0.0 110.677 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -116.9 -1.32 12.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.578 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 56.7 m-20 -81.22 105.88 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.551 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.0 t -79.03 -24.94 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.61 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -74.48 -33.44 62.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.82 -51.65 53.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.698 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.2 p -65.63 -32.44 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.692 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -58.16 -45.76 86.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.616 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -66.29 -34.25 77.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.707 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.408 HG11 HD21 ' B' ' 81' ' ' LEU . 93.3 t -76.93 -30.64 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.698 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 27.1 ttm -70.92 -49.79 41.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.364 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -64.87 -31.7 73.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -53.76 -33.75 56.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 50.6 mt -62.5 -38.95 91.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -72.09 -27.58 62.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.789 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -71.03 -36.99 72.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.429 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' B' ' 66' ' ' ASP . 5.2 m120 -93.72 28.34 2.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.693 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -55.47 -2.54 0.29 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' B' ' 64' ' ' ASN . 47.2 t0 -41.37 -18.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.629 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.569 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 97.47 -0.87 59.97 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -162.99 132.41 4.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.693 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.424 HG12 ' HZ2' ' B' ' 30' ' ' LYS . 19.3 m -93.72 -171.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.785 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -126.45 154.74 43.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.12 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -52.64 -47.94 66.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.729 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -57.91 -33.36 68.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.422 ' O ' HD23 ' B' ' 77' ' ' LEU . 75.2 mm-40 -74.55 -30.85 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.662 ' O ' HG13 ' B' ' 78' ' ' VAL . 18.0 t80 -70.25 -41.4 73.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.839 0.352 . . . . 0.0 111.122 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.7 m -75.25 -28.04 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.66 -39.7 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.439 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -78.19 -35.3 48.78 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.113 -0.635 . . . . 0.0 112.183 -178.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.662 HG13 ' O ' ' B' ' 74' ' ' TYR . 31.1 m -58.38 -41.12 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.484 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.449 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -75.27 -36.7 61.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.36 -30.31 28.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.493 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.408 HD21 HG11 ' B' ' 57' ' ' VAL . 82.6 mt -74.87 -38.85 61.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.548 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.0 m -65.07 -54.52 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.598 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 6.3 p -53.64 -32.34 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.536 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.61 38.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.648 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.5 t -154.01 -54.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -57.28 -30.41 64.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.715 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -48.76 -30.58 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.644 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.5 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.671 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -56.78 -35.86 69.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.556 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -66.33 -48.59 69.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.388 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.16 -31.53 69.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.38 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 55.8 m -69.49 -34.93 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.795 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.58 76.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.619 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.4 mmm -65.4 -40.63 93.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.496 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -54.08 -34.22 59.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.651 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.1 m -59.68 -40.08 86.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.648 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.636 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.5 mm? -66.26 -31.49 72.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.501 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.435 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 23.4 mm -68.18 -43.79 84.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -59.98 -55.75 30.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.015 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.3 p -62.29 -40.97 89.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.808 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.489 ' N ' HG13 ' A' ' 14' ' ' VAL . 83.4 t80 -58.37 -40.16 81.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.621 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -82.74 -18.34 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.35 -40.47 67.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.72 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.588 ' CD2' HD13 ' A' ' 36' ' ' LEU . 79.1 m-70 -87.45 -12.23 46.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.775 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.1 m -72.21 -13.81 61.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.545 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.45 -6.38 88.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -61.13 -48.39 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.528 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -167.73 38.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.454 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -131.95 158.55 22.93 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.35 -62.59 1.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.867 0.365 . . . . 0.0 110.396 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 26' ' ' TYR . 17.9 pttp -175.26 -41.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.25 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.512 ' OH ' HG23 ' B' ' 83' ' ' VAL . 0.1 OUTLIER -95.68 -15.77 22.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.0 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -90.8 148.32 22.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.694 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 tp -137.03 110.53 7.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.281 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -52.08 143.78 13.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.285 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.54 ' HZ3' ' HA ' ' A' ' 61' ' ' LEU . 12.6 tptt -68.87 -29.87 68.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.199 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.49 -45.84 80.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.389 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -80.54 -28.52 37.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.964 0.411 . . . . 0.0 110.614 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.679 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.2 tm? -55.28 -56.27 21.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.812 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 15.8 ptmt -52.27 -39.05 59.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.97 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.462 ' O ' ' OG1' ' A' ' 39' ' ' THR . 94.6 mt-10 -79.33 -27.66 42.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.829 0.347 . . . . 0.0 111.014 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.588 HD13 ' CD2' ' A' ' 18' ' ' HIS . 22.1 tp -64.76 -56.15 15.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.675 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.68 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -51.06 -48.89 61.46 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.182 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.68 ' N ' HD12 ' A' ' 37' ' ' LEU . 13.3 pt20 -70.08 -25.52 63.56 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.974 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 22.2 m -70.76 -40.99 72.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.397 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -93.67 -26.77 16.9 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.432 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.66 46.27 2.04 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.829 0.347 . . . . 0.0 110.529 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -68.65 -34.39 75.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.803 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.48 -50.66 36.21 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.515 ' C ' ' H ' ' A' ' 46' ' ' ASP . 10.2 m-85 -46.11 -67.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.596 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.42 HD12 ' C ' ' A' ' 45' ' ' LEU . 3.4 pp -52.0 -6.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.846 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 44' ' ' PHE . 11.5 t0 -105.6 -26.48 11.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.755 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.07 -3.11 48.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.559 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.9 pp0? -105.74 133.76 49.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 110.593 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -99.67 -3.22 33.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.625 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.559 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 36.2 m-20 -64.04 105.42 0.86 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.501 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.8 t -80.54 -38.09 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.805 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 35.3 p-10 -70.53 -36.68 73.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.791 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.568 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -65.05 -51.61 60.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.695 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 50' ' ' ASP . 9.1 p -67.29 -34.97 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.619 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -57.54 -40.84 79.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.652 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -64.79 -40.6 95.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.621 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.6 t -77.07 -30.5 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.729 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.0 ttt -68.6 -51.46 42.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.413 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -65.99 -31.48 72.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.61 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -56.57 -31.05 63.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.744 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.54 ' HA ' ' HZ3' ' A' ' 30' ' ' LYS . 91.1 mt -60.39 -32.94 71.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.561 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -75.12 -48.03 25.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.379 . . . . 0.0 110.418 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -52.25 -39.53 60.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.55 ' C ' ' H ' ' A' ' 66' ' ' ASP . 32.3 m-20 -90.99 22.25 3.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.543 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.48 16.94 0.49 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.55 ' H ' ' C ' ' A' ' 64' ' ' ASN . 22.1 t70 -49.59 -43.23 46.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.497 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.98 -13.98 2.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -174.39 134.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.106 0.479 . . . . 0.0 110.999 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.484 HG21 ' HG ' ' A' ' 33' ' ' LEU . 2.6 m -91.85 -172.7 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.993 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -121.76 162.28 21.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.099 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.435 ' CZ ' ' CD1' ' A' ' 12' ' ' ILE . 31.9 t80 -53.83 -51.77 62.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -53.91 -35.02 61.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.4 ' O ' HG12 ' A' ' 76' ' ' VAL . 45.9 mt-10 -75.75 -30.82 59.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.329 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.665 ' O ' HG13 ' A' ' 78' ' ' VAL . 28.2 t80 -68.34 -37.09 80.19 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.309 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.8 m -75.14 -27.75 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -76.51 -39.51 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.421 -0.511 . . . . 0.0 112.378 -178.604 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.7 pp -78.33 -35.72 47.26 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.107 -0.637 . . . . 0.0 112.071 -178.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 74' ' ' TYR . 26.8 m -59.24 -42.83 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.556 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.487 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -75.04 -35.1 61.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.711 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.609 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -50.62 -25.99 4.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.592 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 72.9 mt -75.65 -33.49 60.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.804 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.551 ' O ' ' N ' ' A' ' 85' ' ' CYS . 51.6 m -67.0 -51.54 53.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.11 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 80' ' ' ALA . 3.7 p -36.82 -30.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.799 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 82' ' ' THR . . . -67.3 -40.72 86.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.697 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.551 ' N ' ' O ' ' A' ' 82' ' ' THR . 3.8 t -64.42 -50.75 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 88' ' ' PHE . 1.9 m-20 -61.78 -29.02 69.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.61 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -49.46 -17.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.408 ' N ' ' C ' ' A' ' 86' ' ' ASN . 44.7 t80 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.603 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.703 0.287 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -56.61 -35.91 68.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.675 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.605 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -66.42 -48.54 69.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.374 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.24 -31.43 68.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.432 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 54.4 m -69.43 -35.0 75.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.769 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.53 76.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.4 mmm -65.41 -40.7 93.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.48 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -53.97 -34.37 59.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.639 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 20.0 m -59.65 -39.96 86.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.755 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.646 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.5 mm? -66.17 -31.53 72.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.435 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 22.9 mm -68.14 -43.85 84.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.883 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -60.04 -55.56 32.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.037 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.485 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.3 p -62.47 -40.85 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.718 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.485 ' N ' HG13 ' B' ' 14' ' ' VAL . 83.3 t80 -58.51 -40.06 81.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.658 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -82.8 -18.18 41.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.44 -40.38 67.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.727 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.588 ' CD2' HD13 ' B' ' 36' ' ' LEU . 79.1 m-70 -87.43 -12.37 46.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.812 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.4 m -72.05 -13.82 61.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.53 -6.34 88.69 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -61.02 -48.55 81.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 110.615 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -167.67 38.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.01 158.63 22.98 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.51 -62.4 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' B' ' 26' ' ' TYR . 17.8 pttp -175.3 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.373 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.505 ' OH ' HG23 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -95.68 -15.74 22.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.137 179.77 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -90.71 148.49 22.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.668 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 tp -137.22 110.46 7.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.159 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -51.98 143.72 13.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.277 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.548 ' HZ3' ' HA ' ' B' ' 61' ' ' LEU . 12.7 tptt -68.91 -29.85 68.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.221 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.489 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.41 -45.9 80.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.435 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -80.55 -28.49 37.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.571 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.679 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.2 tm? -55.32 -56.29 21.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.724 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.422 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 15.7 ptmt -52.29 -38.99 59.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.053 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.433 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.7 mt-10 -79.49 -27.45 41.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.02 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.588 HD13 ' CD2' ' B' ' 18' ' ' HIS . 22.1 tp -64.78 -56.06 15.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.736 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.677 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.2 pp -51.23 -48.69 62.03 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.237 -179.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.677 ' N ' HD12 ' B' ' 37' ' ' LEU . 13.3 pt20 -70.09 -25.68 63.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 111.0 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 22.1 m -70.59 -41.13 72.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.403 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -93.66 -26.7 16.94 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.337 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.76 46.38 2.03 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.815 0.34 . . . . 0.0 110.444 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -68.83 -34.36 75.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.54 -50.79 34.96 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.532 ' C ' ' H ' ' B' ' 46' ' ' ASP . 10.2 m-85 -45.98 -67.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 110.628 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.412 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.5 pp -52.11 -6.26 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.894 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.532 ' H ' ' C ' ' B' ' 44' ' ' PHE . 11.5 t0 -105.75 -26.44 11.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.658 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.24 -2.86 48.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.554 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.9 pp0? -105.57 133.76 49.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.683 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -99.73 -3.23 33.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.574 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.554 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 36.2 m-20 -64.04 105.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.459 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.4 t -80.52 -38.13 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.746 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 35.3 p-10 -70.56 -36.59 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.576 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -65.21 -51.49 60.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.745 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.407 HG12 ' O ' ' B' ' 50' ' ' ASP . 9.2 p -67.18 -35.07 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.67 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -57.43 -40.9 79.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -64.98 -40.39 94.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.628 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -77.1 -30.49 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.9 ttt -68.68 -51.4 42.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.393 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -65.94 -31.55 72.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -56.6 -31.08 63.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.741 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.548 ' HA ' ' HZ3' ' B' ' 30' ' ' LYS . 90.7 mt -60.23 -33.0 71.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.676 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -75.12 -48.07 25.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.406 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -52.31 -39.56 60.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.49 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.545 ' C ' ' H ' ' B' ' 66' ' ' ASP . 32.3 m-20 -91.04 22.51 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.461 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.63 16.94 0.51 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' B' ' 64' ' ' ASN . 22.0 t70 -49.53 -43.21 45.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.52 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.97 -14.03 2.37 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -174.32 134.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.983 0.42 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.48 HG13 ' HD2' ' B' ' 30' ' ' LYS . 2.6 m -93.01 -172.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.787 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -121.48 162.3 20.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.197 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.435 ' CZ ' ' CD1' ' B' ' 12' ' ' ILE . 31.5 t80 -53.82 -51.76 62.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.837 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -53.91 -35.06 61.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -75.77 -31.02 59.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.264 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.676 ' O ' HG13 ' B' ' 78' ' ' VAL . 28.2 t80 -68.18 -37.15 80.66 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.278 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 30.7 m -75.05 -27.93 20.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.49 -39.44 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.409 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.7 pp -78.34 -35.74 47.13 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.224 -0.591 . . . . 0.0 112.094 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.676 HG13 ' O ' ' B' ' 74' ' ' TYR . 26.8 m -59.44 -42.48 87.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.65 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.487 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -75.22 -35.11 61.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.702 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.618 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -50.52 -26.02 4.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.658 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.1 mt -75.71 -33.27 60.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.572 ' O ' ' N ' ' B' ' 85' ' ' CYS . 52.5 m -67.14 -51.54 52.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.618 HG12 ' O ' ' B' ' 80' ' ' ALA . 3.6 p -36.59 -31.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.772 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 82' ' ' THR . . . -67.24 -40.64 86.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.716 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.572 ' N ' ' O ' ' B' ' 82' ' ' THR . 3.7 t -64.57 -50.65 66.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' B' ' 88' ' ' PHE . 1.9 m-20 -61.97 -28.76 69.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.576 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -49.59 -17.85 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.643 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.403 ' N ' ' C ' ' B' ' 86' ' ' ASN . 44.6 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.835 0.35 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -57.22 -38.7 74.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.641 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.8 tt -58.73 -48.83 79.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.302 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.49 -32.26 72.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.331 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -69.24 -35.09 75.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.596 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.63 -44.15 76.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.363 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.8 mmm -66.72 -36.36 82.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.474 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 17.7 tt0 -57.14 -34.5 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.723 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.2 m -60.3 -41.6 93.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.592 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -60.63 -31.21 70.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.557 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -68.9 -42.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 11.4 m-80 -59.97 -55.59 32.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.016 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 15' ' ' PHE . 14.6 p -63.17 -39.04 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.734 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.457 ' O ' ' OG ' ' A' ' 19' ' ' SER . 85.0 t80 -55.14 -42.7 73.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.656 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -80.17 -39.62 28.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.779 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.71 -41.43 43.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.025 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.401 ' CE1' HD13 ' A' ' 36' ' ' LEU . 29.6 m-70 -87.86 -11.12 48.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.826 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 49.7 m -71.6 -23.71 61.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.653 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.57 -2.64 64.46 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -69.05 -54.43 15.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.819 0.343 . . . . 0.0 110.585 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -129.28 -44.66 1.25 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.436 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.4 172.9 41.01 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -90.05 -55.03 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.714 0.292 . . . . 0.0 110.718 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 27' ' ' LYS . 44.1 mttm -140.23 -89.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.659 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -76.78 17.21 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 25' ' ' LYS . 20.5 mtpp -109.35 132.63 53.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.607 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 tp -140.76 115.45 9.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.401 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 p -61.46 154.65 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.409 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HD2' HG13 ' A' ' 69' ' ' VAL . 7.2 tptt -68.56 -35.45 77.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.296 179.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.02 -43.41 81.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.115 -179.323 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -79.03 -28.65 43.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.799 0.333 . . . . 0.0 110.998 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.732 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.0 tm? -65.33 -55.52 17.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.722 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.19 -40.63 61.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.741 0.305 . . . . 0.0 110.902 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -79.31 -27.31 42.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.061 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.401 HD13 ' CE1' ' A' ' 18' ' ' HIS . 20.3 tp -61.47 -56.24 22.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.909 -179.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.691 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -50.8 -49.88 57.49 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.691 ' N ' HD12 ' A' ' 37' ' ' LEU . 12.0 pt20 -65.04 -25.68 67.93 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.332 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.45 ' C ' ' OE1' ' A' ' 40' ' ' GLU . 25.0 m -74.22 -45.36 48.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.449 -179.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.584 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -87.83 -27.52 22.2 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.524 -178.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mp -116.27 45.03 1.85 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.842 0.353 . . . . 0.0 110.286 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 p -68.22 -27.87 66.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.014 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.25 -48.58 10.74 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.422 ' C ' ' H ' ' A' ' 46' ' ' ASP . 10.0 m-85 -50.26 -65.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.823 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.24 -9.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.804 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 44' ' ' PHE . 15.2 t70 -102.24 -17.9 15.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.651 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.24 -3.12 29.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.797 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' C ' ' CD ' ' A' ' 48' ' ' GLN . 4.4 pp0? -103.61 136.46 43.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.666 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -98.0 -24.9 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.445 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -51.43 103.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.721 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.99 -35.08 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.594 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -70.24 -36.96 74.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.657 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.45 69.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.676 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.45 -31.91 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -59.51 -46.14 89.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.565 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.84 -37.77 88.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.561 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -75.0 -30.41 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.649 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 ttt -71.05 -50.39 34.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.387 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -65.63 -31.76 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -54.06 -30.65 48.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.502 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.3 mt -63.44 -39.86 95.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.402 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -69.83 -27.53 64.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.645 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.56 -40.34 76.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.579 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.554 ' C ' ' H ' ' A' ' 66' ' ' ASP . 42.4 m-20 -92.1 32.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.764 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.588 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -58.15 1.12 0.27 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.554 ' H ' ' C ' ' A' ' 64' ' ' ASN . 24.2 t70 -39.14 -21.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.342 . . . . 0.0 110.595 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 97.9 3.54 58.06 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -169.11 131.95 1.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.064 0.459 . . . . 0.0 110.865 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.64 HG11 ' HG ' ' A' ' 33' ' ' LEU . 15.6 m -92.59 -172.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.874 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -129.96 153.77 48.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.708 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -48.5 -50.41 31.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.852 0.358 . . . . 0.0 110.67 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -57.58 -33.72 68.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -75.31 -30.54 60.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.668 ' O ' HG22 ' A' ' 78' ' ' VAL . 16.7 t80 -69.74 -41.49 75.19 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.952 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.9 m -75.04 -27.6 20.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.86 -38.43 36.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.8 pp -78.12 -44.11 27.04 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.755 -179.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 74' ' ' TYR . 17.0 m -58.62 -34.93 52.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.319 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.2 -34.26 61.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.625 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.35 -27.26 65.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.655 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.0 mt -75.44 -31.16 60.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.617 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.4 m -68.39 -55.35 12.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -52.92 -20.95 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.78 25.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 19.5 t -146.57 -54.22 0.25 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.617 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -52.59 -36.23 55.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.753 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -46.72 -24.31 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.669 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.6 t80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.666 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.4 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.817 0.342 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -57.21 -38.74 74.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.641 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.8 tt -58.77 -48.68 80.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.382 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.54 -32.29 72.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.232 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 29.6 m -69.25 -35.2 75.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.44 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.91 76.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.457 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.2 mmm -66.81 -36.41 82.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 17.6 tt0 -57.11 -34.35 68.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.77 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.1 m -60.45 -41.71 94.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.609 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -60.51 -31.24 70.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.668 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -68.81 -42.87 82.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 11.3 m-80 -59.93 -55.58 32.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.005 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.468 HG13 ' N ' ' B' ' 15' ' ' PHE . 14.6 p -63.22 -39.17 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.468 ' N ' HG13 ' B' ' 14' ' ' VAL . 84.8 t80 -55.12 -42.57 73.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -80.44 -39.57 27.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.622 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.55 -41.36 41.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.157 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -87.89 -11.23 48.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.832 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 49.3 m -71.57 -23.87 61.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 0.0 110.489 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.39 -2.66 63.84 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -69.1 -54.38 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.636 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -129.34 -44.53 1.25 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.42 172.99 40.91 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -90.08 -55.09 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 110.735 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.413 ' C ' ' H ' ' B' ' 27' ' ' LYS . 44.1 mttm -140.31 -89.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.628 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -76.64 17.08 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' B' ' 25' ' ' LYS . 20.6 mtpp -109.3 132.62 53.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.589 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 tp -140.74 115.36 9.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.429 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.3 p -61.51 154.71 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.492 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.405 ' HD2' HG13 ' B' ' 69' ' ' VAL . 7.2 tptt -68.74 -35.23 76.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.342 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.484 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.22 -43.18 82.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.163 -179.375 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -79.19 -28.45 42.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.937 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.731 HD13 ' C ' ' B' ' 33' ' ' LEU . 3.0 tm? -65.34 -55.6 17.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.692 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.13 -40.78 61.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.838 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -79.13 -27.37 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.02 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.2 tp -61.59 -56.27 21.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.797 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.704 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.2 pp -50.86 -49.66 58.54 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.704 ' N ' HD12 ' B' ' 37' ' ' LEU . 12.0 pt20 -65.24 -25.51 67.71 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.348 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.449 ' C ' ' OE1' ' B' ' 40' ' ' GLU . 24.8 m -74.21 -45.32 49.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.482 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.576 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 0.0 OUTLIER -87.88 -27.6 22.1 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.555 -178.871 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mp -116.16 45.22 1.8 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.728 0.299 . . . . 0.0 110.3 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 26.6 p -68.37 -27.86 66.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.992 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.21 -48.54 10.86 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.42 ' C ' ' H ' ' B' ' 46' ' ' ASP . 10.1 m-85 -50.26 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.581 0.229 . . . . 0.0 110.803 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.27 -9.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.802 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' B' ' 44' ' ' PHE . 15.2 t70 -102.15 -17.87 15.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.4 -3.04 29.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.753 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -103.73 136.48 43.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.637 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -97.93 -24.87 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -51.43 103.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.61 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.04 -35.12 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.617 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -70.19 -37.01 75.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.63 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.77 -51.36 70.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.704 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.41 -31.97 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.656 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.5 -46.15 89.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.8 -37.84 88.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.84 -30.56 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.701 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.7 ttt -70.91 -50.49 34.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.433 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -65.6 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -53.94 -30.73 47.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.452 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.48 -39.85 95.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.354 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -69.77 -27.71 65.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.559 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.48 -40.39 77.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.576 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.52 ' C ' ' H ' ' B' ' 66' ' ' ASP . 42.8 m-20 -92.19 32.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.702 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.588 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -58.16 1.16 0.27 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' B' ' 64' ' ' ASN . 24.2 t70 -39.29 -21.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.761 0.315 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 97.79 3.81 58.1 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -169.18 131.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.084 0.469 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.635 HG11 ' HG ' ' B' ' 33' ' ' LEU . 15.4 m -93.7 -172.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.633 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -129.54 153.95 47.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.796 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -48.62 -50.27 33.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.778 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -57.62 -33.75 68.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -75.25 -30.56 60.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.676 ' O ' HG22 ' B' ' 78' ' ' VAL . 16.8 t80 -69.72 -41.55 75.17 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.995 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.02 -27.6 20.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.87 -38.25 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 120.462 -0.495 . . . . 0.0 112.324 -178.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.639 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.7 pp -78.32 -43.89 26.69 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.021 -0.672 . . . . 0.0 111.807 -179.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.676 HG22 ' O ' ' B' ' 74' ' ' TYR . 16.8 m -58.83 -34.81 53.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.231 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.25 -34.29 61.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.565 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.37 -27.21 65.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.578 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -75.46 -31.26 60.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.522 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.8 m -68.29 -55.41 12.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.982 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -52.89 -20.94 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.784 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.82 25.83 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.479 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 19.5 t -146.59 -54.2 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.701 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -52.55 -36.28 55.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.704 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -46.79 -24.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.578 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 81.7 t80 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.674 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.435 ' O ' ' OG1' ' A' ' 6' ' ' THR . 70.4 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.735 0.302 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -64.12 -40.46 96.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -60.95 -48.63 80.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.063 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.46 -32.1 73.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.408 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 2' ' ' SER . 23.1 m -69.36 -35.01 75.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.647 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.54 -47.65 75.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 57.5 mmm -66.54 -34.61 78.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 13.2 tt0 -56.23 -36.27 68.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.632 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.0 m -58.56 -43.02 89.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -59.04 -31.36 68.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.48 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.5 mm -71.12 -43.56 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 35.2 m-80 -60.03 -55.65 31.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.4 p -60.94 -38.93 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.694 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.456 ' N ' HG13 ' A' ' 14' ' ' VAL . 85.1 t80 -57.8 -38.89 76.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.776 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -83.71 -17.96 39.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.12 61.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.794 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.634 ' CD2' HD13 ' A' ' 36' ' ' LEU . 63.4 m-70 -86.26 -10.49 54.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.1 m -76.38 4.26 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.55 -9.63 59.94 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -71.73 -65.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.713 0.292 . . . . 0.0 110.47 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -139.02 66.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.475 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -167.2 -178.79 39.75 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -97.78 -70.07 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.897 0.38 . . . . 0.0 110.612 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -144.87 -64.55 0.34 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -95.64 14.97 21.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -109.65 138.26 46.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -138.56 124.73 20.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.907 0.384 . . . . 0.0 110.255 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.6 p -67.6 147.28 52.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.426 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' A' ' 61' ' ' LEU . 1.2 tppp? -68.81 -38.15 79.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.076 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.708 ' CE ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.93 -40.0 75.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.426 179.869 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -80.55 -28.4 37.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.981 0.419 . . . . 0.0 110.353 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.712 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.7 tm? -58.93 -55.77 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.757 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.25 -37.18 54.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.868 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -79.19 -27.36 42.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.634 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.9 tp -64.53 -56.32 14.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.707 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -51.67 -48.83 63.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.642 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.1 pt20 -68.46 -25.76 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.298 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.5 m -69.51 -40.61 76.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.281 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -93.71 -26.72 16.89 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.099 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.53 44.89 2.26 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.48 -27.36 66.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.69 -51.58 7.07 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.537 ' C ' ' H ' ' A' ' 46' ' ' ASP . 6.8 m-85 -45.99 -64.29 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.627 0.251 . . . . 0.0 110.903 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.599 HD12 ' C ' ' A' ' 45' ' ' LEU . 3.6 pp -52.93 -4.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.105 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 44' ' ' PHE . 10.9 t0 -101.28 -23.17 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.693 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.77 -3.11 33.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.21 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.3 pp0? -97.11 128.35 43.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.663 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -99.43 -2.31 36.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.562 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.498 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 90.1 m-20 -71.43 104.31 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.598 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.8 t -76.92 -31.25 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.569 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.87 -37.37 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.646 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.5 -51.56 68.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.701 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.63 -32.32 57.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -56.48 -43.96 80.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -65.54 -36.6 84.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.595 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.9 t -75.79 -30.69 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.1 ttm -72.69 -50.77 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.332 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -63.68 -31.57 72.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.461 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -54.97 -35.95 64.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.598 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.576 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 40.8 mt -61.38 -35.61 77.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.48 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -74.17 -27.53 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.654 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -78.34 -40.96 34.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.367 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.53 ' C ' ' HZ2' ' A' ' 30' ' ' LYS . 29.5 m120 -96.2 34.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.556 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.18 9.09 4.35 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' A' ' 64' ' ' ASN . 48.0 t0 -45.02 -23.8 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.482 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' HA2' ' NZ ' ' A' ' 31' ' ' LYS . . . 109.85 -15.3 31.49 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -149.62 131.77 15.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.905 0.383 . . . . 0.0 110.489 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 m -92.88 -171.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.88 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -124.8 151.6 44.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.167 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -52.02 -47.4 65.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.655 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.94 -33.75 69.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.676 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -75.55 -30.9 59.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.257 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.678 ' O ' HG13 ' A' ' 78' ' ' VAL . 27.9 t80 -70.07 -39.13 75.8 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.204 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.21 -28.13 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.64 -40.41 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -78.31 -35.83 47.3 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.106 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 74' ' ' TYR . 28.9 m -58.61 -39.54 76.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.491 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -74.25 -39.74 62.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.742 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.78 -28.24 3.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.0 mt -75.39 -35.58 61.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.0 m -67.72 -54.67 17.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.79 -17.09 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.644 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.88 26.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.9 t -148.83 -54.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.589 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -53.91 -40.25 66.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -53.49 -21.17 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.684 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.812 0.339 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -64.27 -40.44 95.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.635 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.5 OUTLIER -60.75 -48.68 80.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.228 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.51 -32.09 73.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.414 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.3 m -69.37 -34.91 75.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.634 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.61 -47.62 76.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 57.6 mmm -66.61 -34.62 78.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.385 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 13.1 tt0 -56.19 -36.27 68.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.64 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.0 m -58.56 -42.92 89.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.701 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.591 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -59.14 -31.28 68.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.446 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.7 mm -71.31 -43.59 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.735 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 34.7 m-80 -59.84 -55.59 32.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.449 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.5 p -61.14 -38.74 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.744 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.449 ' N ' HG13 ' B' ' 14' ' ' VAL . 84.9 t80 -57.83 -39.05 76.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.716 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -83.67 -17.89 39.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.707 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.06 61.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.632 ' CD2' HD13 ' B' ' 36' ' ' LEU . 63.0 m-70 -86.41 -10.4 54.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.835 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.4 m -76.37 4.23 9.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.654 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.62 -9.64 59.85 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -71.63 -65.13 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.715 0.293 . . . . 0.0 110.603 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -139.13 66.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -167.2 -178.93 39.85 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -97.78 -70.01 0.74 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.794 0.331 . . . . 0.0 110.598 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -144.84 -64.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.574 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -95.72 15.09 21.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -109.82 138.17 46.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.391 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -138.49 124.72 20.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.958 0.408 . . . . 0.0 110.279 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -67.65 147.45 52.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.439 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.624 ' HZ2' ' C ' ' B' ' 64' ' ' ASN . 1.2 tppp? -68.96 -38.09 79.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.046 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.71 ' H ' ' CE ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.86 -40.06 75.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 179.82 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.55 -28.37 37.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.335 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.713 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.7 tm? -59.01 -55.75 31.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.696 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.33 -37.2 55.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.847 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -79.04 -27.47 43.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.632 HD13 ' CD2' ' B' ' 18' ' ' HIS . 21.1 tp -64.46 -56.28 15.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.862 -179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.699 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.2 pp -51.67 -49.0 63.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.527 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.699 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.1 pt20 -68.32 -25.78 65.29 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.232 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.7 m -69.53 -40.64 76.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.293 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -93.62 -26.74 16.95 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.15 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.53 44.88 2.26 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 110.477 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -27.3 65.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.8 -51.4 7.12 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.538 ' C ' ' H ' ' B' ' 46' ' ' ASP . 6.7 m-85 -46.1 -64.19 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.924 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.606 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.6 pp -53.08 -4.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.995 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.538 ' H ' ' C ' ' B' ' 44' ' ' PHE . 10.9 t0 -101.39 -23.14 14.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.636 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.8 -3.03 33.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.145 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.3 pp0? -97.08 128.29 43.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 110.686 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -99.39 -2.26 36.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.5 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 90.1 m-20 -71.58 104.41 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.6 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.89 -31.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.62 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -71.82 -37.29 70.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.62 -51.44 69.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.668 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.75 -32.28 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.42 -44.13 80.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -65.49 -36.58 84.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.586 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.8 t -75.82 -30.63 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.2 ttm -72.65 -50.76 22.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -63.75 -31.6 72.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.458 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -54.85 -36.03 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.595 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.578 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 40.9 mt -61.39 -35.56 77.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -74.24 -27.46 60.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.625 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -78.32 -40.97 35.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.34 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.624 ' C ' ' HZ2' ' B' ' 30' ' ' LYS . 29.6 m120 -96.2 34.53 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.17 8.97 4.43 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' B' ' 64' ' ' ASN . 48.3 t0 -45.19 -23.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.328 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.75 -14.95 31.95 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -149.85 131.61 15.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.925 0.393 . . . . 0.0 110.55 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.402 ' H ' HG22 ' B' ' 69' ' ' VAL . 14.2 m -93.93 -171.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.628 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -124.25 151.63 43.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.229 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.07 -47.43 65.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.603 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.93 -33.72 69.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.72 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -75.62 -30.8 59.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.262 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' TYR . . . . . 0.671 ' O ' HG13 ' B' ' 78' ' ' VAL . 28.1 t80 -70.1 -39.17 75.68 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.265 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.24 -28.09 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.69 -40.35 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.427 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -78.34 -35.79 47.11 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.259 -0.576 . . . . 0.0 112.094 -178.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.671 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.3 m -58.68 -39.43 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.413 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.427 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -74.35 -39.8 62.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.666 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.58 -28.4 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.9 mt -75.26 -35.55 61.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.1 m -67.77 -54.71 17.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.777 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.9 -17.01 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.574 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.8 26.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.623 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 6.8 t -148.78 -54.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -53.9 -40.22 66.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.584 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -53.62 -21.16 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -72.32 160.71 31.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.722 0.296 . . . . 0.0 110.603 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.79 -36.63 79.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.528 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.598 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -60.01 -48.6 81.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -71.5 -31.76 67.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.571 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.6 m -69.39 -35.04 75.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.41 -44.66 76.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.492 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.2 mmm -68.47 -35.85 78.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.26 -34.88 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.665 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.1 m -61.63 -36.8 81.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.631 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.5 mm? -65.55 -31.4 72.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.415 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.8 mm -70.16 -44.78 77.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.924 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -59.95 -55.78 29.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.7 p -58.93 -43.67 89.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.74 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.521 ' N ' HG13 ' A' ' 14' ' ' VAL . 84.4 t80 -59.38 -36.91 76.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.676 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 19' ' ' SER . 18.5 t60 -70.98 -59.51 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.762 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.48 -34.46 0.84 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.872 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.546 ' CD2' HD13 ' A' ' 36' ' ' LEU . 50.9 m-70 -87.54 -21.16 25.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 16' ' ' HIS . 51.6 m -72.53 -8.38 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.567 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.38 -2.13 89.16 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -65.32 -110.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.435 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -79.83 -29.89 40.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.478 ' O ' ' OD1' ' A' ' 24' ' ' ASP . . . -68.69 -144.32 0.13 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' A' ' 23' ' ' GLY . 97.0 m-20 -140.02 -61.85 0.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.751 0.31 . . . . 0.0 110.575 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -139.84 -64.65 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.46 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -97.54 1.88 49.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.405 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -99.82 139.59 35.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.678 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.575 ' N ' ' OE2' ' A' ' 68' ' ' GLU . 37.1 tp -150.29 126.47 10.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.391 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.1 p -70.97 147.0 49.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.593 ' HZ3' HD23 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -65.58 -37.47 86.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.386 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -56.91 -39.91 75.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.637 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -80.28 -40.9 25.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.789 ' O ' HD23 ' A' ' 33' ' ' LEU . 2.7 tt -65.29 -34.5 78.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.709 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -52.14 -44.51 64.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.565 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -79.62 -27.56 41.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.169 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.546 HD13 ' CD2' ' A' ' 18' ' ' HIS . 45.1 tp -58.55 -56.35 23.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.759 -179.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.0 pp -50.82 -47.43 60.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.572 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.653 ' N ' HD12 ' A' ' 37' ' ' LEU . 14.6 pt20 -76.39 -25.44 54.55 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.314 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.6 m -66.82 -39.47 87.71 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.337 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.585 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 2.8 mp0 -91.05 -26.89 18.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.013 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.54 43.7 2.01 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.825 0.345 . . . . 0.0 110.192 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.421 ' HA ' HD21 ' A' ' 45' ' ' LEU . 59.9 p -68.26 -27.36 66.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.79 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.97 -49.38 16.95 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.521 ' C ' ' H ' ' A' ' 46' ' ' ASP . 11.6 m-85 -49.36 -61.62 1.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.698 0.285 . . . . 0.0 110.734 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.555 HD12 ' C ' ' A' ' 45' ' ' LEU . 3.9 pp -55.06 -4.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.683 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.521 ' H ' ' C ' ' A' ' 44' ' ' PHE . 14.0 t0 -104.29 -20.21 13.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.556 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.04 -2.94 26.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.88 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.582 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 2.1 pp0? -96.65 129.5 44.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.852 0.358 . . . . 0.0 110.637 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -94.13 -15.38 24.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.477 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.582 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 65.3 m-20 -64.92 101.86 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.643 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.4 t -75.44 -31.7 24.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -71.95 -36.07 69.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.658 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.22 -51.35 69.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.653 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.22 -34.01 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.59 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.7 -42.52 93.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -62.64 -41.98 99.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.64 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -72.4 -30.47 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.761 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.9 ttt -70.86 -51.43 26.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.334 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -66.59 -31.65 72.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.619 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -52.87 -30.79 35.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.466 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.593 HD23 ' HZ3' ' A' ' 30' ' ' LYS . 95.8 mt -64.07 -39.94 95.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -69.76 -27.39 64.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -68.01 -40.99 82.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.532 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.533 ' C ' ' H ' ' A' ' 66' ' ' ASP . 70.3 m-80 -103.69 30.99 4.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.538 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -59.93 2.84 0.35 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' A' ' 64' ' ' ASN . 21.9 t70 -37.78 -24.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 110.41 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 108.01 -3.5 33.63 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.575 ' OE2' ' N ' ' A' ' 28' ' ' LEU . 6.9 tp10 -153.2 132.03 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.413 . . . . 0.0 110.814 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.571 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.69 -153.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.81 179.582 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.571 ' H ' HG12 ' A' ' 69' ' ' VAL . 59.3 t0 -148.71 140.56 23.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.028 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -48.49 -49.23 36.65 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.452 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -52.6 -36.12 55.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.232 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -75.74 -30.68 59.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.704 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.685 ' O ' HG13 ' A' ' 78' ' ' VAL . 21.7 t80 -64.21 -40.04 95.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.843 0.354 . . . . 0.0 110.759 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.9 -30.64 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.237 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.47 -38.36 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.8 pp -78.59 -35.57 45.58 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.114 -0.635 . . . . 0.0 111.847 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 74' ' ' TYR . 29.7 m -60.38 -40.21 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.261 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.45 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -74.72 -41.5 60.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.622 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.02 -29.02 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.686 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.6 mt -75.19 -39.21 60.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.726 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.432 HG22 ' OD1' ' A' ' 86' ' ' ASN . 80.4 m -64.68 -54.65 28.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.747 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.424 ' C ' ' H ' ' A' ' 85' ' ' CYS . 11.1 p -57.37 -25.79 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.546 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.87 20.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.557 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.424 ' H ' ' C ' ' A' ' 83' ' ' VAL . 40.8 t -141.99 -42.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.432 ' OD1' HG22 ' A' ' 82' ' ' THR . 34.7 m120 -53.07 -31.62 42.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.663 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -46.72 -28.68 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.586 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.72 -38.25 60.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.607 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -63.75 -56.68 13.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -87.33 115.69 24.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.644 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -165.79 157.69 14.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.646 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -74.6 144.46 43.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.56 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.585 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -72.34 160.72 31.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 110.564 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.83 -36.67 79.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.598 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -59.91 -48.6 81.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.39 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -71.51 -31.73 67.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.529 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 32.6 m -69.39 -35.15 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.726 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.19 -44.67 75.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.606 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 66.2 mmm -68.57 -35.94 78.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.483 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.22 -34.94 64.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.625 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.5 m -61.55 -36.85 81.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.638 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.5 mm? -65.48 -31.46 72.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.431 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 14.7 mm -70.21 -44.68 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.929 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -60.2 -55.55 32.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.528 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.7 p -59.03 -43.57 89.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.764 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.528 ' N ' HG13 ' B' ' 14' ' ' VAL . 84.6 t80 -59.16 -37.15 76.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.772 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.532 ' O ' ' N ' ' B' ' 19' ' ' SER . 18.5 t60 -71.02 -59.58 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.633 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.33 -34.55 0.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.925 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.553 ' CD2' HD13 ' B' ' 36' ' ' LEU . 50.7 m-70 -87.49 -21.17 25.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.779 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.532 ' N ' ' O ' ' B' ' 16' ' ' HIS . 51.9 m -72.61 -8.39 55.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.487 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.23 -2.18 89.32 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -65.27 -110.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.557 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -79.76 -30.0 40.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.415 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.477 ' O ' ' OD1' ' B' ' 24' ' ' ASP . . . -68.73 -144.2 0.13 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.477 ' OD1' ' O ' ' B' ' 23' ' ' GLY . 97.0 m-20 -140.01 -61.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.359 . . . . 0.0 110.485 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -139.8 -64.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -97.6 2.01 49.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.371 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -99.88 139.62 35.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.65 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.585 ' N ' ' OE2' ' B' ' 68' ' ' GLU . 36.4 tp -150.32 126.4 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.422 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.8 p -71.0 146.79 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.972 0.415 . . . . 0.0 111.02 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.622 ' HZ3' HD23 ' B' ' 61' ' ' LEU . 0.5 OUTLIER -65.41 -37.37 86.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.458 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -57.07 -39.8 75.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.649 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -80.28 -40.9 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.78 ' O ' HD23 ' B' ' 33' ' ' LEU . 2.7 tt -65.31 -34.54 78.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.65 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -52.05 -44.59 64.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.526 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -79.64 -27.38 40.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.257 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.553 HD13 ' CD2' ' B' ' 18' ' ' HIS . 45.4 tp -58.71 -56.36 23.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.744 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.65 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.0 pp -50.68 -47.6 58.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.594 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.65 ' N ' HD12 ' B' ' 37' ' ' LEU . 14.6 pt20 -76.29 -25.44 54.86 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.383 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 33.1 m -66.7 -39.71 88.18 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.336 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.588 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 2.7 mp0 -90.99 -26.79 19.05 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.008 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.62 43.67 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.209 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.415 ' HA ' HD21 ' B' ' 45' ' ' LEU . 60.1 p -68.28 -27.45 66.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.76 -49.52 17.58 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.517 ' C ' ' H ' ' B' ' 46' ' ' ASP . 11.5 m-85 -49.35 -61.58 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.675 0.274 . . . . 0.0 110.723 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.562 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.9 pp -55.15 -4.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.678 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' B' ' 44' ' ' PHE . 14.0 t0 -104.25 -20.3 13.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.638 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.86 -3.11 26.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.581 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 2.1 pp0? -96.57 129.34 43.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.637 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -94.06 -15.41 24.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.581 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 65.6 m-20 -65.01 102.04 0.57 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.452 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 96.4 t -75.36 -31.9 24.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.5 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -71.87 -35.93 69.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.669 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.39 -51.4 69.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.619 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.15 -34.12 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.571 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.57 -42.63 92.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.551 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -62.52 -42.0 99.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.654 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 62.0 t -72.5 -30.47 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.592 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.9 ttt -70.87 -51.33 27.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.43 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -66.57 -31.7 72.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.563 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -52.78 -30.87 35.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.387 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.622 HD23 ' HZ3' ' B' ' 30' ' ' LYS . 95.8 mt -64.17 -39.82 94.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.612 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -69.81 -27.45 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.639 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -67.96 -40.98 83.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.524 ' C ' ' H ' ' B' ' 66' ' ' ASP . 70.3 m-80 -103.72 31.03 4.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.53 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.574 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -60.05 2.99 0.35 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.524 ' H ' ' C ' ' B' ' 64' ' ' ASN . 21.7 t70 -37.79 -24.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.467 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 107.89 -3.16 33.79 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.585 ' OE2' ' N ' ' B' ' 28' ' ' LEU . 7.0 tp10 -153.29 132.06 12.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.378 . . . . 0.0 110.69 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.568 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.7 OUTLIER -93.81 -153.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.558 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.568 ' H ' HG12 ' B' ' 69' ' ' VAL . 59.5 t0 -149.25 140.64 23.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.877 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -48.54 -49.24 37.09 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.413 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -52.51 -36.23 54.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.257 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -75.6 -30.79 59.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.689 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.677 ' O ' HG13 ' B' ' 78' ' ' VAL . 21.7 t80 -64.19 -40.08 95.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.798 0.332 . . . . 0.0 110.781 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.84 -30.58 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.64 -38.3 30.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.415 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.8 pp -78.54 -35.6 45.91 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.921 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.677 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.3 m -60.32 -40.23 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.348 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.45 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -74.75 -41.31 60.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.734 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.16 -28.94 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.62 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 77.4 mt -75.2 -39.24 60.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.72 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.436 HG22 ' OD1' ' B' ' 86' ' ' ASN . 81.4 m -64.69 -54.74 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.643 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.432 ' C ' ' H ' ' B' ' 85' ' ' CYS . 11.2 p -57.33 -25.78 24.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.84 20.74 0.23 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.432 ' H ' ' C ' ' B' ' 83' ' ' VAL . 41.1 t -141.89 -42.86 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.436 ' OD1' HG22 ' B' ' 82' ' ' THR . 34.7 m120 -52.97 -31.65 41.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.635 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -46.62 -28.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.497 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.79 -38.3 60.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.485 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -63.77 -56.64 14.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.579 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -87.29 115.61 24.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -165.8 157.83 14.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.68 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -74.76 144.56 43.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.49 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.599 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -82.87 158.87 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.496 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -52.19 -31.07 30.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -71.36 -48.54 49.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.407 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.98 -35.25 80.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.59 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.8 p -69.36 -34.78 75.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.698 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.04 -37.04 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.69 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.0 mmm -75.58 -38.47 59.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.457 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -54.64 -35.34 63.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.671 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.1 m -58.89 -41.04 86.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.752 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.613 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -63.31 -31.3 72.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.483 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.42 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 15.2 mm -70.89 -38.67 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -59.78 -55.06 38.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.779 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.65 -37.25 75.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.52 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -60.73 -46.08 91.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.56 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -77.35 -18.07 57.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.678 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.74 -35.76 65.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.697 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.58 ' CD2' HD13 ' A' ' 36' ' ' LEU . 45.9 m-70 -92.55 -13.33 29.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.6 m -74.77 3.65 7.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.56 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.63 3.74 71.79 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -82.31 -75.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.61 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -112.63 -42.9 3.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.623 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.63 165.53 3.87 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -86.06 -59.37 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.627 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -145.17 -69.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.446 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.517 ' CZ ' HG23 ' B' ' 83' ' ' VAL . 0.1 OUTLIER -90.27 -3.58 57.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.127 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -92.13 146.59 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.623 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.7 tp -144.04 122.11 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.454 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -62.96 147.87 49.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' HZ3' ' HB3' ' A' ' 61' ' ' LEU . 26.4 tptp -68.2 -40.57 82.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.415 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.488 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.85 -37.14 70.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.849 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -81.51 -31.68 32.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.545 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.783 ' O ' HD23 ' A' ' 33' ' ' LEU . 2.6 tt -72.13 -39.14 69.02 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.819 0.304 . . . . 0.0 111.819 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 10.4 ptmm? -51.34 -40.54 59.31 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.841 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' O ' ' OG1' ' A' ' 39' ' ' THR . 91.2 mt-10 -79.66 -31.97 41.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.58 HD13 ' CD2' ' A' ' 18' ' ' HIS . 31.0 tp -55.58 -56.2 23.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.924 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.0 pp -50.47 -48.21 56.76 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.016 -0.273 . . . . 0.0 111.545 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.659 ' N ' HD12 ' A' ' 37' ' ' LEU . 20.5 pt20 -75.22 -25.68 58.35 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.066 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 57.3 m -65.76 -38.48 89.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.062 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.5 ' C ' HD12 ' A' ' 41' ' ' LEU . 63.6 mm-40 -92.17 -26.71 18.1 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.069 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.3 mp -114.69 45.01 1.64 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -68.41 -27.42 66.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.32 -52.46 5.6 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.529 ' C ' ' H ' ' A' ' 46' ' ' ASP . 12.9 m-85 -46.93 -63.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.656 0.265 . . . . 0.0 110.864 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.489 HD12 ' C ' ' A' ' 45' ' ' LEU . 3.8 pp -53.79 -4.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.718 0.294 . . . . 0.0 110.9 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' A' ' 44' ' ' PHE . 5.4 t70 -105.61 -20.84 13.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.791 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.94 -2.96 33.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.956 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.0 pp0? -93.16 139.19 30.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 110.773 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -103.48 -12.15 17.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.491 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.507 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 83.9 m-20 -71.31 98.16 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.96 -27.68 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.568 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -73.5 -37.29 65.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.707 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.81 -51.41 68.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.681 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.3 p -66.0 -32.27 57.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.48 -47.68 81.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -62.13 -37.21 84.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.63 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -76.37 -30.6 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.83 -51.6 21.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -63.2 -31.82 73.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.486 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -53.15 -33.69 53.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.616 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.443 ' HB3' ' HZ3' ' A' ' 30' ' ' LYS . 59.5 mt -62.16 -36.24 81.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.654 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -74.71 -27.86 60.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -78.15 -41.23 35.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.767 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.52 ' C ' ' H ' ' A' ' 66' ' ' ASP . 9.3 m120 -88.97 24.26 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.62 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.13 24.25 0.71 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 64' ' ' ASN . 52.8 m-20 -58.94 -44.81 91.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.804 0.335 . . . . 0.0 110.628 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.0 -27.12 2.31 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -146.75 132.35 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 110.427 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.515 HG21 HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -92.43 -154.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.103 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.503 ' H ' HG12 ' A' ' 69' ' ' VAL . 49.8 t0 -143.29 138.87 29.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.044 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.42 ' CZ ' ' CD1' ' A' ' 12' ' ' ILE . 33.3 t80 -48.73 -48.03 40.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 110.646 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -51.77 -35.69 44.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.477 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.87 -30.88 59.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.691 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.7 ' O ' HG13 ' A' ' 78' ' ' VAL . 28.7 t80 -64.37 -39.27 93.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.971 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -75.74 -30.99 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.64 -39.12 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.8 pp -78.31 -35.09 48.23 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.983 -178.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 74' ' ' TYR . 28.7 m -60.96 -42.88 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.44 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.479 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -72.98 -39.31 66.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.8 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.36 -27.9 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.366 . . . . 0.0 110.68 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -75.31 -37.43 60.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.8 m -64.91 -54.76 25.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.52 HG23 ' CZ ' ' B' ' 26' ' ' TYR . 3.6 p -49.78 -38.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.707 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.16 -13.49 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.693 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.9 t -97.05 -50.97 4.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.731 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.501 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 0.7 OUTLIER -47.03 -39.35 12.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.64 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 90' ' ' TRP . 56.7 t30 -47.22 -24.31 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.599 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -50.1 -35.86 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -63.32 -55.19 26.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.612 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.457 ' O ' ' CD2' ' A' ' 90' ' ' TRP . 43.4 p-90 -106.64 104.18 13.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.609 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -87.34 -45.1 10.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -103.1 145.48 29.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.592 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -82.88 158.94 22.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.789 0.328 . . . . 0.0 110.652 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -52.33 -30.83 30.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.672 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.61 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -71.45 -48.37 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.498 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.28 -35.2 80.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 40.6 p -69.37 -34.67 74.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -37.05 66.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.671 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.8 mmm -75.52 -38.51 59.34 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.532 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -54.58 -35.34 63.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.678 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.3 m -58.89 -40.98 86.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.615 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.7 mm? -63.29 -31.38 72.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.474 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.429 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 15.1 mm -70.81 -38.68 73.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -59.88 -55.08 38.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.746 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.57 -37.2 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.676 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -60.77 -46.06 91.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.487 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -77.46 -17.96 57.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.621 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.82 -35.79 64.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.573 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.589 ' CD2' HD13 ' B' ' 36' ' ' LEU . 46.0 m-70 -92.64 -13.17 29.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.637 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 48.2 m -74.83 3.7 7.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.621 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.6 3.73 71.89 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -82.3 -75.26 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.842 0.354 . . . . 0.0 110.683 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -112.71 -42.83 3.54 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.645 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 165.6 3.9 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -86.07 -59.37 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.738 0.304 . . . . 0.0 110.625 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -145.22 -69.62 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.447 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.52 ' CZ ' HG23 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -90.23 -3.54 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.099 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -92.2 146.53 23.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.517 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 tp -144.02 122.16 12.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -62.89 147.94 48.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.433 ' HZ3' HD22 ' B' ' 61' ' ' LEU . 26.3 tptp -68.19 -40.55 82.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.458 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.479 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.82 -37.31 71.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.614 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -81.39 -31.59 33.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.655 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.766 ' O ' HD23 ' B' ' 33' ' ' LEU . 2.6 tt -72.24 -38.96 68.8 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.443 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 10.3 ptmm? -51.42 -40.48 59.43 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.791 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 91.0 mt-10 -79.83 -31.84 40.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.051 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' B' ' 18' ' ' HIS . 31.9 tp -55.45 -56.3 21.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.888 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.658 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.0 pp -50.55 -48.26 57.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.449 -178.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.658 ' N ' HD12 ' B' ' 37' ' ' LEU . 20.5 pt20 -75.12 -25.71 58.66 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.14 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 56.1 m -65.65 -38.54 89.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.09 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.502 ' C ' HD12 ' B' ' 41' ' ' LEU . 63.5 mm-40 -92.13 -26.84 18.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.092 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.506 HD12 ' N ' ' B' ' 41' ' ' LEU . 8.3 mp -114.65 45.11 1.62 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.393 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -68.33 -27.54 66.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.34 -52.27 5.69 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.532 ' C ' ' H ' ' B' ' 46' ' ' ASP . 13.1 m-85 -47.0 -63.88 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.733 0.302 . . . . 0.0 110.91 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.491 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.8 pp -53.95 -4.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.843 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.532 ' H ' ' C ' ' B' ' 44' ' ' PHE . 5.4 t70 -105.63 -20.94 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.684 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.97 -2.84 33.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.039 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.492 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 2.9 pp0? -93.34 139.33 30.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 110.78 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -103.56 -12.26 17.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.483 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.492 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 83.4 m-20 -71.11 98.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.675 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.7 t -71.13 -27.44 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.539 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -73.69 -37.4 65.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.628 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.5 -51.7 67.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.663 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.85 -32.25 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.59 -47.52 81.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.57 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -62.31 -37.25 84.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.505 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 75.6 t -76.19 -30.68 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.64 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.6 ttt -71.86 -51.42 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.461 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -63.3 -31.66 72.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.6 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -53.31 -33.69 54.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.433 HD22 ' HZ3' ' B' ' 30' ' ' LYS . 59.2 mt -62.07 -36.39 81.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.542 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -74.74 -27.7 60.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.81 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -78.34 -41.02 34.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.746 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.527 ' C ' ' H ' ' B' ' 66' ' ' ASP . 9.4 m120 -89.03 24.27 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.576 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.12 24.2 0.71 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' B' ' 64' ' ' ASN . 53.0 m-20 -58.88 -44.75 91.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.677 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 141.76 -26.71 2.37 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -146.85 132.26 18.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.302 . . . . 0.0 110.469 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.528 HG21 HD13 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -93.47 -154.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.018 0.437 . . . . 0.0 110.829 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.505 ' H ' HG12 ' B' ' 69' ' ' VAL . 49.6 t0 -143.07 138.89 30.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.121 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.429 ' CZ ' ' CD1' ' B' ' 12' ' ' ILE . 33.4 t80 -48.61 -48.15 39.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.614 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -51.71 -35.83 44.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.402 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -75.76 -30.95 59.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.703 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.68 ' O ' HG13 ' B' ' 78' ' ' VAL . 28.7 t80 -64.31 -39.3 93.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.948 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.3 m -75.77 -30.95 21.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.66 -39.17 31.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.404 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.8 pp -78.44 -35.02 47.4 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.106 -0.637 . . . . 0.0 111.919 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.68 HG13 ' O ' ' B' ' 74' ' ' TYR . 28.4 m -60.94 -42.89 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.499 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.48 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -73.06 -39.29 66.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.37 -27.78 2.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.683 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -75.43 -37.36 60.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.698 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 86.0 m -64.94 -54.75 25.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.776 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.517 HG23 ' CZ ' ' A' ' 26' ' ' TYR . 3.6 p -49.78 -38.59 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.733 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.97 -13.5 46.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.808 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.9 t -97.05 -50.97 4.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.763 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.509 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 0.7 OUTLIER -47.19 -39.2 13.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.682 -179.776 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 90' ' ' TRP . 56.7 t30 -47.2 -24.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.503 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -50.11 -35.84 27.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.354 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -63.41 -55.2 26.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.542 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.462 ' O ' ' CD2' ' B' ' 90' ' ' TRP . 43.7 p-90 -106.66 104.3 13.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.612 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -87.33 -45.18 10.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.423 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -103.19 145.35 30.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.558 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.501 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t -71.7 144.43 49.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.358 . . . . 0.0 110.512 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.02 -41.51 98.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.616 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.793 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.9 tm? -60.09 -48.56 81.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.223 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.77 -36.3 80.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.8 m -64.86 -34.98 79.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.479 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.45 -46.72 76.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.652 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.9 mmm -64.02 -41.13 97.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.517 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 22.8 tt0 -53.81 -35.16 61.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.418 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m -59.24 -47.03 86.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.601 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 11' ' ' LEU . 4.0 mm? -53.0 -31.31 40.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.416 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -71.01 -43.57 76.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.7 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 5.1 m-80 -59.99 -55.67 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.906 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 15' ' ' PHE . 13.4 p -59.33 -40.78 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.617 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.48 ' N ' HG13 ' A' ' 14' ' ' VAL . 79.0 t80 -63.26 -42.48 99.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.664 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -76.56 -20.76 56.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.772 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.77 -43.34 55.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.783 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.472 ' CG ' HD13 ' A' ' 36' ' ' LEU . 45.2 m-70 -85.59 -9.15 57.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.825 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 41.0 m -72.42 -20.98 61.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.702 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.9 -14.73 61.43 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -58.58 -108.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.759 0.314 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -78.15 -36.87 47.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.671 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.95 174.19 46.89 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.536 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 20.4 p-10 -86.19 -68.03 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.747 0.308 . . . . 0.0 110.624 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 51.2 mttm -148.17 -50.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.02 -17.27 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.177 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -90.04 143.03 27.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.63 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -140.78 122.98 15.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.411 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.0 p -75.16 144.7 42.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -67.99 -29.53 68.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.419 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -56.55 -44.42 80.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.913 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -80.42 -28.69 37.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.944 0.402 . . . . 0.0 110.614 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.671 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.5 tm? -53.42 -51.14 63.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.01 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 11.2 ptmm? -51.25 -38.06 50.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.792 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.3 mt-10 -78.79 -27.33 44.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.472 HD13 ' CG ' ' A' ' 18' ' ' HIS . 21.9 tp -65.91 -56.25 12.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.752 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.95 -49.48 63.1 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.394 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.689 ' N ' HD12 ' A' ' 37' ' ' LEU . 15.2 pt20 -67.41 -25.82 66.13 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.722 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 30.0 m -75.74 -35.83 60.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.198 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.55 ' C ' HD12 ' A' ' 41' ' ' LEU . 65.8 mm-40 -93.91 -26.85 16.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.355 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.55 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.7 mp -118.44 45.97 1.91 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.854 0.359 . . . . 0.0 110.522 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -68.12 -27.54 66.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.37 -53.44 5.57 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -45.16 -66.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.628 0.251 . . . . 0.0 110.814 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 pp -52.33 -16.71 0.91 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.127 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -80.36 -48.16 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 110.608 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.98 39.24 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.494 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.481 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -102.26 134.59 45.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.653 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -108.95 -6.2 15.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -91.8 104.43 16.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.57 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -80.4 -28.77 11.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.634 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -74.52 -37.48 63.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.735 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.84 -51.19 67.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.691 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 55' ' ' ASP . 15.0 p -64.54 -36.84 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.691 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.414 ' N ' HG13 ' A' ' 54' ' ' VAL . 46.7 t0 -56.95 -47.14 81.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.604 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.56 -37.66 88.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.532 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.68 -30.45 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ttm -70.21 -51.53 30.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.09 -31.68 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.442 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -54.41 -34.43 61.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.99 -36.9 75.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -74.67 -27.88 60.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -69.14 -41.35 77.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.563 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -100.58 33.04 2.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.517 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.51 18.52 4.51 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -51.6 -44.79 62.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 110.436 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.94 -16.54 3.25 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -142.94 132.89 24.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.983 0.421 . . . . 0.0 110.384 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -92.43 -154.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.197 -179.431 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.577 ' H ' HG12 ' A' ' 69' ' ' VAL . 62.6 m-20 -153.09 142.92 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.034 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -48.51 -52.95 19.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.743 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -56.08 -33.34 64.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.695 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' O ' HD23 ' A' ' 77' ' ' LEU . 72.1 mm-40 -75.72 -30.8 59.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.184 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.559 ' O ' HG13 ' A' ' 78' ' ' VAL . 23.1 t80 -72.1 -40.78 67.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.935 0.398 . . . . 0.0 111.125 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.0 m -74.88 -27.8 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.9 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.26 -39.51 35.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -78.32 -34.68 48.46 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.995 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.8 m -62.44 -43.94 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.417 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.494 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -71.03 -35.85 72.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.811 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.04 -31.65 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.58 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.66 -30.9 59.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.546 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.0 m -69.84 -55.74 8.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.9 p -58.44 -31.05 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.746 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.14 -22.54 66.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.594 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -94.36 -39.31 10.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -54.85 -41.39 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.718 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 90' ' ' TRP . 59.1 t30 -47.68 -24.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.631 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -59.37 -45.78 90.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -58.4 -50.21 74.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.619 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.479 ' O ' ' O ' ' A' ' 87' ' ' ASN . 53.4 m95 -95.49 -177.12 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.538 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 51.83 54.54 10.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.561 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -75.71 128.75 35.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.51 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.535 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -71.63 144.42 49.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.565 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.11 -41.43 98.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.791 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.9 tm? -60.09 -48.69 80.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.167 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.68 -36.43 80.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.501 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 25.4 m -64.74 -35.0 79.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.509 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.5 -46.74 76.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.6 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 51.5 mmm -64.02 -41.09 97.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.462 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -53.76 -35.16 60.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.507 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.0 m -59.29 -46.89 87.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.683 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.55 HD22 ' N ' ' B' ' 11' ' ' LEU . 4.0 mm? -53.05 -31.31 40.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.466 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 mm -71.0 -43.64 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.7 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -59.97 -55.66 31.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.486 HG13 ' N ' ' B' ' 15' ' ' PHE . 13.4 p -59.29 -40.77 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.689 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.486 ' N ' HG13 ' B' ' 14' ' ' VAL . 78.9 t80 -63.37 -42.33 98.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.651 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -76.53 -20.82 56.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.766 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.72 -43.33 55.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.804 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.46 ' CG ' HD13 ' B' ' 36' ' ' LEU . 45.7 m-70 -85.55 -9.09 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.921 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.8 m -72.49 -21.09 61.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.619 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.84 -14.8 61.41 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -58.62 -108.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.682 0.277 . . . . 0.0 110.464 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -78.13 -36.87 47.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.66 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.92 174.27 46.7 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.534 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 20.0 p-10 -86.19 -68.07 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.33 . . . . 0.0 110.562 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.534 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 51.1 mttm -148.16 -50.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.621 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.03 -17.31 22.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.195 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -89.89 143.05 27.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.741 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.3 tp -140.82 123.02 15.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.9 p -75.25 144.84 42.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.004 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -68.12 -29.54 68.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.328 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -56.46 -44.62 80.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.837 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -80.46 -28.41 37.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.915 0.388 . . . . 0.0 110.69 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.668 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.5 tm? -53.5 -51.29 63.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.913 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 11.2 ptmm? -51.22 -37.99 49.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.745 0.307 . . . . 0.0 110.692 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.421 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 96.3 mt-10 -78.89 -27.23 43.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.736 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.46 HD13 ' CG ' ' B' ' 18' ' ' HIS . 21.9 tp -66.04 -56.1 13.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.757 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.693 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -52.14 -49.45 63.68 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.419 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.693 ' N ' HD12 ' B' ' 37' ' ' LEU . 15.2 pt20 -67.42 -25.62 66.02 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.824 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 29.5 m -75.83 -35.87 59.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.561 ' C ' HD12 ' B' ' 41' ' ' LEU . 65.7 mm-40 -93.85 -26.83 16.75 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.343 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.561 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.7 mp -118.37 45.93 1.91 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.774 0.321 . . . . 0.0 110.415 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 84.7 p -68.37 -27.24 66.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.46 -53.44 5.53 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.344 -0.703 . . . . 0.0 111.344 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -45.3 -66.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.862 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -52.19 -16.9 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.165 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -80.3 -48.21 13.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.675 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.87 39.41 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.449 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.485 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -102.4 134.57 45.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.568 -179.781 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -108.93 -6.3 15.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.469 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -91.65 104.41 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 68.5 t -80.36 -28.87 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.638 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -74.57 -37.38 62.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.69 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.81 -51.22 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.424 HG13 ' N ' ' B' ' 55' ' ' ASP . 15.0 p -64.63 -36.7 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.693 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.424 ' N ' HG13 ' B' ' 54' ' ' VAL . 46.6 t0 -57.04 -47.05 81.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.62 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -63.56 -37.73 88.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.549 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 87.7 t -74.54 -30.57 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.66 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ttm -70.25 -51.43 30.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -31.66 72.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.543 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -54.46 -34.4 61.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.557 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.02 -36.71 75.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -74.81 -27.8 60.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.629 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.19 -41.48 77.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.392 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -100.4 32.84 2.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.474 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.27 18.4 4.34 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -51.54 -44.76 62.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 139.1 -17.35 3.18 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -141.62 133.28 27.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.565 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -93.58 -154.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.994 -179.457 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.565 ' H ' HG12 ' B' ' 69' ' ' VAL . 62.6 m-20 -153.19 143.05 22.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.036 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -48.61 -53.02 20.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.783 0.325 . . . . 0.0 110.681 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -55.93 -33.46 64.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.771 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.411 ' O ' HD23 ' B' ' 77' ' ' LEU . 72.3 mm-40 -75.75 -30.72 59.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.159 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.562 ' O ' HG13 ' B' ' 78' ' ' VAL . 23.0 t80 -72.13 -40.72 67.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.833 0.349 . . . . 0.0 111.106 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.6 m -74.91 -27.68 20.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.022 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.25 -39.55 35.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.419 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -78.35 -34.64 48.32 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.978 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.562 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.8 m -62.4 -44.13 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.409 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.498 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -70.86 -35.81 72.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.08 -31.67 52.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.586 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -75.51 -31.16 60.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.475 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -69.85 -55.77 8.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.8 p -58.23 -31.18 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.15 -22.46 66.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.618 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -94.29 -39.36 10.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.614 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -54.93 -41.34 70.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.716 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.481 ' O ' ' O ' ' B' ' 90' ' ' TRP . 59.1 t30 -47.73 -24.38 0.93 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.712 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -59.36 -45.72 90.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -58.53 -50.04 75.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.808 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.481 ' O ' ' O ' ' B' ' 87' ' ' ASN . 53.6 m95 -95.41 -177.17 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.504 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 51.79 54.52 10.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.595 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -75.79 128.76 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.554 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.479 -179.906 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.581 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -68.61 162.92 24.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.834 0.35 . . . . 0.0 110.615 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.72 -34.39 74.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.613 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.782 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.9 tm? -56.72 -48.46 77.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.03 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.52 -33.13 74.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.317 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.4 m -67.58 -35.12 78.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.487 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.33 -45.55 80.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.466 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.8 mmm -64.31 -37.12 86.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.371 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -55.31 -38.52 68.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.5 m -57.28 -43.83 83.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.664 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.575 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -57.16 -31.17 65.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.547 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.5 mm -70.58 -41.77 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.732 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -62.02 -55.56 27.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.1 p -62.24 -38.08 80.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.679 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.439 ' N ' HG13 ' A' ' 14' ' ' VAL . 93.2 t80 -61.94 -38.0 86.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.725 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -88.73 -18.05 28.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.777 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.67 -35.53 77.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.779 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.526 ' CD2' HD13 ' A' ' 36' ' ' LEU . 57.1 m-70 -93.59 -7.75 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.755 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.472 ' O ' ' O ' ' A' ' 23' ' ' GLY . 69.7 m -74.41 -10.43 59.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.77 -17.72 79.59 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -55.38 -73.57 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 110.647 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -117.16 -56.37 2.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 19' ' ' SER . . . -52.64 158.93 3.4 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -71.77 -64.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.616 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -145.58 -72.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.435 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -77.47 -5.89 51.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.267 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -94.81 138.69 32.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -143.8 123.83 13.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.264 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.4 p -68.81 142.65 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.499 ' HZ1' ' HB2' ' A' ' 64' ' ' ASN . 33.2 tptt -66.65 -32.49 73.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.478 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -57.54 -42.73 83.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.666 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -80.77 -28.24 36.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.014 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.777 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.2 tm? -60.84 -51.32 69.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.762 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -51.82 -34.76 41.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.636 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -78.65 -27.29 45.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.517 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.526 HD13 ' CD2' ' A' ' 18' ' ' HIS . 19.6 tp -72.43 -56.25 5.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.368 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.712 ' C ' HD12 ' A' ' 37' ' ' LEU . 1.4 pp -50.84 -39.83 54.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.285 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.548 ' N ' HD12 ' A' ' 37' ' ' LEU . 9.6 pt20 -76.97 -25.99 53.41 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.03 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.5 m -75.85 -37.34 59.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.45 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -88.07 -26.98 22.25 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.411 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.33 44.41 2.46 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.847 0.356 . . . . 0.0 110.342 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.492 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 52.0 p -68.43 -27.92 66.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.76 -50.6 10.88 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.406 ' C ' ' H ' ' A' ' 46' ' ' ASP . 19.1 m-85 -49.45 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.587 0.232 . . . . 0.0 110.869 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.82 -8.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.319 . . . . 0.0 110.772 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' OD2' ' O ' ' A' ' 42' ' ' SER . 29.9 m-20 -105.8 -11.4 16.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.589 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.56 -2.97 14.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.571 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.3 pp0? -101.15 133.93 44.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.619 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -94.92 -9.75 33.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.571 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 49.9 m-20 -68.01 102.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.5 t -79.4 -29.74 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -71.36 -36.93 71.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.674 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.16 -51.45 67.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.762 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.1 -31.85 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.695 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -55.18 -48.26 74.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.743 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.55 -36.08 81.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.611 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.5 t -73.75 -30.56 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.685 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.2 ttt -74.3 -51.65 14.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.753 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -62.09 -32.49 73.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.55 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.436 ' C ' ' OE1' ' A' ' 60' ' ' GLU . 13.6 tm-20 -55.66 -33.67 64.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.42 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.9 mt -60.88 -37.44 82.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.562 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.87 -28.64 60.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.684 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -75.9 -40.96 53.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.498 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.499 ' HB2' ' HZ1' ' A' ' 30' ' ' LYS . 4.5 m120 -94.31 44.33 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.522 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -83.26 7.02 69.2 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' GLY . 51.0 t0 -36.94 -28.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.441 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 111.03 -11.23 29.34 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -144.18 132.21 21.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.978 0.418 . . . . 0.0 110.608 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.605 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.82 -154.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.329 -179.842 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.605 ' H ' HG12 ' A' ' 69' ' ' VAL . 70.0 m-20 -152.61 142.35 21.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.966 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -49.11 -49.07 43.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.759 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -58.52 -33.62 70.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.435 ' O ' HD23 ' A' ' 77' ' ' LEU . 68.1 mm-40 -73.59 -30.94 63.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.091 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.553 ' O ' HG13 ' A' ' 78' ' ' VAL . 16.1 t80 -69.06 -42.67 75.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.929 0.395 . . . . 0.0 111.132 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.4 m -75.14 -28.0 20.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -39.6 32.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 73' ' ' GLU . 2.5 pp -77.9 -35.04 51.14 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.071 -0.651 . . . . 0.0 111.923 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 74' ' ' TYR . 30.7 m -61.71 -43.33 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.624 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.474 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -68.97 -40.98 78.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.921 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.34 -30.77 19.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.652 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.38 -33.79 61.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.632 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.7 m -68.46 -55.41 11.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.896 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -53.36 -29.68 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.752 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.67 -26.59 67.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.655 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.7 t -91.1 -53.28 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.775 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -48.98 -38.11 22.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.76 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.478 ' O ' ' O ' ' A' ' 90' ' ' TRP . 20.1 t-20 -54.5 -24.5 20.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.694 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -57.07 -39.78 75.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.773 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -64.36 -48.1 76.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.648 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.478 ' O ' ' O ' ' A' ' 87' ' ' ASN . 72.8 m95 -91.07 125.31 35.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.544 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -171.6 -51.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.484 ' O ' ' O ' ' A' ' 93' ' ' SER . 28.5 t-20 51.06 97.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.484 ' O ' ' O ' ' A' ' 92' ' ' ASN . 1.9 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.568 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -68.76 162.92 25.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.568 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.71 -34.25 74.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.627 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.788 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.9 tm? -56.84 -48.4 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.32 -33.26 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.466 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 27.6 m -67.62 -35.02 78.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.461 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.4 -45.55 80.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.7 mmm -64.34 -37.12 86.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.312 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -55.26 -38.56 68.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.5 m -57.25 -43.83 83.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.652 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.555 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -57.33 -31.15 65.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.434 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -70.45 -41.89 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -61.89 -55.47 29.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.431 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.2 p -62.31 -38.14 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.695 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.431 ' N ' HG13 ' B' ' 14' ' ' VAL . 93.3 t80 -62.0 -37.87 86.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.719 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -88.91 -17.94 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.763 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.65 -35.53 77.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.711 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.526 ' CD2' HD13 ' B' ' 36' ' ' LEU . 57.5 m-70 -93.68 -7.67 43.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.729 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.46 ' O ' ' O ' ' B' ' 23' ' ' GLY . 68.8 m -74.49 -10.32 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.614 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.85 -17.64 79.64 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -55.41 -73.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.643 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -117.28 -56.35 2.24 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.514 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' B' ' 19' ' ' SER . . . -52.69 158.93 3.44 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -71.81 -64.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.561 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -145.6 -72.52 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.466 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -77.54 -5.97 51.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.259 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -94.74 138.67 32.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.591 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -143.68 123.85 13.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.226 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.9 p -68.75 142.52 54.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.419 ' HZ1' ' HB2' ' B' ' 64' ' ' ASN . 33.4 tptt -66.46 -32.61 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.434 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -57.52 -42.76 83.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.683 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -80.64 -28.34 36.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.06 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.766 HD13 ' C ' ' B' ' 33' ' ' LEU . 3.2 tm? -60.78 -51.32 69.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.785 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -51.83 -34.86 42.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.572 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -78.66 -27.3 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.47 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.526 HD13 ' CD2' ' B' ' 18' ' ' HIS . 19.8 tp -72.32 -56.25 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.449 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.72 ' C ' HD12 ' B' ' 37' ' ' LEU . 1.4 pp -50.9 -39.8 55.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.171 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.556 ' N ' HD12 ' B' ' 37' ' ' LEU . 9.6 pt20 -77.01 -25.9 53.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 111.081 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 50.3 m -75.97 -37.19 58.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.418 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -88.2 -26.97 22.11 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.344 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.28 44.29 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.294 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.492 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 51.9 p -68.28 -27.94 66.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.748 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.85 -50.43 11.12 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.422 ' C ' ' H ' ' B' ' 46' ' ' ASP . 19.3 m-85 -49.44 -65.35 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.643 0.258 . . . . 0.0 110.907 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.84 -8.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.758 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.492 ' OD2' ' O ' ' B' ' 42' ' ' SER . 29.9 m-20 -105.78 -11.44 16.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.614 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.65 -2.94 14.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.57 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.3 pp0? -101.11 134.01 44.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.619 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -95.0 -9.67 33.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.608 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.57 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 50.0 m-20 -68.1 102.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.582 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -79.36 -29.72 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.657 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -71.28 -36.99 71.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.33 68.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.742 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.12 -31.96 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.589 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -55.14 -48.22 73.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.54 -36.02 81.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.657 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.84 -30.44 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.716 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.3 ttt -74.31 -51.73 14.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.72 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -62.21 -32.3 72.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.584 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.441 ' OE1' ' C ' ' B' ' 60' ' ' GLU . 13.7 tm-20 -55.82 -33.56 64.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.38 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.99 -37.39 82.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.558 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -74.85 -28.54 60.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.75 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -75.95 -41.06 52.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.399 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.419 ' HB2' ' HZ1' ' B' ' 30' ' ' LYS . 4.5 m120 -94.28 44.4 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.064 0.459 . . . . 0.0 110.602 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -83.18 6.77 70.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' B' ' 65' ' ' GLY . 51.0 t0 -36.93 -28.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.396 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 110.95 -11.44 29.49 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -143.68 132.54 22.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.6 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.589 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.7 OUTLIER -94.41 -153.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.045 -179.565 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.589 ' H ' HG12 ' B' ' 69' ' ' VAL . 70.1 m-20 -152.66 142.35 21.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.994 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -49.0 -49.27 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.71 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -58.44 -33.67 69.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.43 ' O ' HD23 ' B' ' 77' ' ' LEU . 68.4 mm-40 -73.42 -30.94 63.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.211 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.553 ' O ' HG13 ' B' ' 78' ' ' VAL . 15.8 t80 -69.27 -42.67 75.23 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.878 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.9 m -75.22 -27.93 20.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.68 -39.51 31.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 N-CA-C 112.567 0.581 . . . . 0.0 112.567 -178.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.43 HD23 ' O ' ' B' ' 73' ' ' GLU . 2.5 pp -77.88 -35.2 51.12 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.906 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.553 HG13 ' O ' ' B' ' 74' ' ' TYR . 31.6 m -61.59 -43.28 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.664 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.477 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -69.26 -40.81 77.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.32 -30.76 19.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.704 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.49 -33.72 60.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.634 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 78.5 m -68.54 -55.52 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.7 p -53.27 -29.72 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.662 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.58 -26.69 67.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.658 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -90.88 -53.4 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -49.03 -38.08 22.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.77 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.469 ' O ' ' O ' ' B' ' 90' ' ' TRP . 20.0 t-20 -54.44 -24.35 19.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.817 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -57.26 -39.63 76.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -64.31 -48.24 76.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.591 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.469 ' O ' ' O ' ' B' ' 87' ' ' ASN . 72.8 m95 -90.99 125.35 35.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.525 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -171.62 -51.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.595 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.486 ' O ' ' O ' ' B' ' 93' ' ' SER . 28.5 t-20 51.01 97.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.61 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.486 ' O ' ' O ' ' B' ' 92' ' ' ASN . 1.9 t . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.621 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -67.46 166.56 14.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.69 0.281 . . . . 0.0 110.599 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -53.59 -36.44 61.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.798 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.8 tm? -60.59 -48.18 82.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.219 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.04 -34.33 77.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.6 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 m -65.43 -34.79 79.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.04 -44.41 82.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.503 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.5 mmm -64.83 -40.89 95.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.529 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -54.19 -33.95 59.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.543 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.6 m -60.63 -45.88 92.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.697 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -54.8 -31.16 58.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.512 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 mm -71.43 -43.25 72.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.673 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -59.83 -55.55 32.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.699 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.3 -35.19 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.498 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -61.02 -51.76 67.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.667 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -72.93 -19.9 61.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.662 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.42 84.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.656 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.64 ' CD2' HD13 ' A' ' 36' ' ' LEU . 55.0 m-70 -93.75 -14.67 25.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.75 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.6 m -63.88 -21.09 66.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.616 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.21 -17.81 77.64 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -57.47 -46.76 83.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.588 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' GLY . 68.3 mm-40 -145.72 -64.95 0.32 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 22' ' ' GLU . . . -36.22 145.39 0.08 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -57.2 -57.24 13.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 0.0 110.575 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -154.47 -71.85 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.638 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.13 -19.07 40.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.242 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -80.03 151.97 29.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.589 HD23 HD12 ' A' ' 33' ' ' LEU . 19.9 tp -150.6 118.85 6.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.445 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.44 151.24 44.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.249 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.58 ' NZ ' HD23 ' A' ' 61' ' ' LEU . 42.3 tptt -69.1 -34.34 74.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.29 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -57.21 -39.99 76.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.609 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -81.69 -37.87 26.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.49 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.589 HD12 HD23 ' A' ' 28' ' ' LEU . 6.0 tt -65.88 -42.63 90.07 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.732 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 16.5 ptmt -52.35 -40.0 61.4 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.684 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 96.4 mt-10 -80.01 -29.11 39.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.948 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.64 HD13 ' CD2' ' A' ' 18' ' ' HIS . 34.9 tp -58.24 -54.29 48.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.872 -178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.0 pp -50.47 -48.2 56.72 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.322 -178.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.666 ' N ' HD12 ' A' ' 37' ' ' LEU . 10.2 pt20 -73.46 -25.83 60.66 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.944 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 95.4 m -70.76 -35.16 72.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.145 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.575 ' C ' HD12 ' A' ' 41' ' ' LEU . 52.6 mm-40 -91.85 -26.89 18.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.244 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.575 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.7 mp -113.25 46.87 1.19 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.544 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.411 ' HA ' HD21 ' A' ' 45' ' ' LEU . 32.3 t -68.33 -27.3 66.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.12 -49.74 9.26 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' C ' ' H ' ' A' ' 46' ' ' ASP . 22.1 m-85 -52.69 -62.78 1.43 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.776 0.322 . . . . 0.0 110.971 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.744 HD12 ' C ' ' A' ' 45' ' ' LEU . 3.8 pp -52.27 -6.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.942 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.631 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.9 t0 -95.16 -39.67 9.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.493 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.16 34.69 2.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.262 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.479 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -98.45 134.27 41.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.644 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -106.74 -12.25 15.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.495 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -92.4 106.08 18.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.617 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.57 -26.11 7.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.482 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -75.52 -31.98 60.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.674 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.38 -51.53 43.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.721 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.34 -33.34 63.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.695 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.73 -49.29 78.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -61.45 -36.76 81.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.451 HG11 HD21 ' A' ' 81' ' ' LEU . 95.2 t -76.86 -30.62 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.759 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.2 ttt -73.71 -51.13 17.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.498 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -62.43 -32.81 73.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.611 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -56.13 -30.89 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.394 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.58 HD23 ' NZ ' ' A' ' 30' ' ' LYS . 37.0 mt -62.46 -39.22 92.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.509 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.09 -28.91 64.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.714 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -74.13 -35.52 64.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.532 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' A' ' 66' ' ' ASP . 3.4 m120 -94.97 28.21 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.598 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.88 17.58 2.75 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 64' ' ' ASN . 94.8 m-20 -49.8 -43.98 48.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.522 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.7 -16.91 3.51 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -148.76 132.08 16.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.919 0.39 . . . . 0.0 110.613 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.59 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.4 OUTLIER -92.55 -154.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.537 0.684 . . . . 0.0 111.294 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.59 ' H ' HG12 ' A' ' 69' ' ' VAL . 47.3 m-20 -147.14 133.15 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.305 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -48.1 -44.48 31.82 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.454 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.428 ' O ' HG22 ' A' ' 75' ' ' VAL . 99.4 mt-30 -54.83 -37.13 65.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 109.981 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -75.85 -30.72 59.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.544 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.724 ' O ' HG13 ' A' ' 78' ' ' VAL . 61.9 t80 -63.63 -39.08 93.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 72' ' ' GLN . 28.4 m -75.74 -31.11 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.72 -39.44 31.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.47 -33.68 48.16 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.146 -0.622 . . . . 0.0 112.0 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 74' ' ' TYR . 26.9 m -63.31 -43.26 98.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.434 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.495 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -71.62 -36.42 70.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.744 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.21 -32.39 10.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.587 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.451 HD21 HG11 ' A' ' 57' ' ' VAL . 70.5 mt -75.12 -33.35 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.409 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 98.7 m -71.58 -55.2 8.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.61 -25.07 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.07 32.16 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.568 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.0 t -147.57 -53.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -55.94 -31.59 63.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.492 ' O ' ' O ' ' A' ' 90' ' ' TRP . 41.2 t-20 -44.36 -26.55 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -52.79 -45.59 67.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.455 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -62.86 -46.68 86.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.717 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.492 ' O ' ' O ' ' A' ' 87' ' ' ASN . 82.4 m95 -94.96 113.18 24.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.519 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -61.3 -11.62 10.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.589 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 66.42 90.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.611 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.6 p . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.634 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.1 p -67.57 166.59 14.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -53.62 -36.45 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.642 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.796 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.8 tm? -60.36 -48.3 82.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.98 -34.39 77.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.583 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.8 m -65.34 -34.98 79.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.74 -44.51 81.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.6 mmm -64.96 -40.84 95.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.451 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -54.13 -34.03 59.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.9 m -60.71 -45.77 92.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.707 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.53 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -54.65 -31.29 57.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.522 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 mm -71.39 -43.16 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.777 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -59.92 -55.52 33.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.667 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 p -60.31 -35.04 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.511 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -61.08 -51.84 67.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -72.87 -19.91 61.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.707 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.24 84.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.624 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.644 ' CD2' HD13 ' B' ' 36' ' ' LEU . 54.9 m-70 -93.89 -14.74 25.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.679 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 45.3 m -63.8 -21.13 66.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.571 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.26 -17.67 77.62 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -57.58 -46.72 83.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.754 0.311 . . . . 0.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' B' ' 23' ' ' GLY . 68.2 mm-40 -145.69 -65.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' B' ' 22' ' ' GLU . . . -36.22 145.42 0.08 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -57.33 -57.08 14.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.775 0.322 . . . . 0.0 110.655 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -154.51 -71.83 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.623 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.07 -19.22 40.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.288 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -79.99 151.92 29.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.551 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.585 HD23 HD12 ' B' ' 33' ' ' LEU . 19.9 tp -150.65 118.8 6.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.438 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.43 151.17 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.215 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' HD23 ' B' ' 61' ' ' LEU . 42.4 tptt -68.97 -34.44 75.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.275 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -57.14 -40.0 76.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.623 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -81.72 -37.85 26.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.475 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.585 HD12 HD23 ' B' ' 28' ' ' LEU . 6.0 tt -65.84 -42.86 90.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.7 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 16.5 ptmt -52.32 -39.9 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.687 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.42 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 96.4 mt-10 -80.07 -29.0 39.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.644 HD13 ' CD2' ' B' ' 18' ' ' HIS . 35.0 tp -58.3 -54.16 50.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.963 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.66 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.0 pp -50.47 -48.24 56.7 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.341 -178.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.66 ' N ' HD12 ' B' ' 37' ' ' LEU . 10.2 pt20 -73.54 -25.76 60.55 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.96 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 95.8 m -70.86 -35.03 72.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.062 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.577 ' C ' HD12 ' B' ' 41' ' ' LEU . 52.1 mm-40 -92.0 -26.67 18.26 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.3 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.577 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.7 mp -113.29 46.9 1.19 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.809 0.338 . . . . 0.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.418 ' HA ' HD21 ' B' ' 45' ' ' LEU . 32.5 t -68.56 -27.18 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.15 -49.71 9.26 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.52 ' C ' ' H ' ' B' ' 46' ' ' ASP . 22.1 m-85 -52.76 -62.68 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 111.025 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.74 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.8 pp -52.37 -6.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.971 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.644 ' N ' HD12 ' B' ' 45' ' ' LEU . 11.1 t0 -95.11 -39.8 9.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.5 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.07 34.7 2.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.359 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.481 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -98.44 134.38 41.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.654 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -106.75 -12.18 15.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.51 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -92.43 106.0 18.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.559 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -83.32 -26.3 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -75.5 -31.95 60.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.68 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.31 -51.61 42.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.725 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.31 -33.38 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.706 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.65 -49.28 78.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.63 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -61.55 -36.69 81.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.435 HG11 HD21 ' B' ' 81' ' ' LEU . 94.4 t -76.89 -30.61 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.1 ttt -73.7 -51.14 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.493 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -62.43 -32.96 73.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -56.09 -30.72 62.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.508 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.572 HD23 ' NZ ' ' B' ' 30' ' ' LYS . 37.9 mt -62.56 -39.25 93.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.438 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.04 -28.92 64.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.655 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -74.18 -35.49 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.429 ' C ' ' H ' ' B' ' 66' ' ' ASP . 3.4 m120 -94.99 28.27 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.521 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.94 17.65 2.76 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' B' ' 64' ' ' ASN . 94.9 m-20 -49.86 -43.84 49.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.507 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.52 -16.76 3.55 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -148.8 131.95 16.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 110.64 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.57 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.5 OUTLIER -93.5 -154.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.471 0.653 . . . . 0.0 111.071 -179.706 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.57 ' H ' HG12 ' B' ' 69' ' ' VAL . 47.5 m-20 -147.29 133.11 19.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.362 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -48.02 -44.59 31.04 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.461 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG22 ' B' ' 75' ' ' VAL . 99.4 mt-30 -54.58 -37.32 65.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.407 . . . . 0.0 109.947 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -75.95 -30.56 58.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.535 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.735 ' O ' HG13 ' B' ' 78' ' ' VAL . 61.8 t80 -63.63 -39.09 93.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.757 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 72' ' ' GLN . 28.6 m -75.81 -31.04 21.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.77 -39.49 31.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 pp -78.54 -33.55 47.8 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.078 -0.649 . . . . 0.0 112.0 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.735 HG13 ' O ' ' B' ' 74' ' ' TYR . 26.9 m -63.4 -43.29 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.388 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.499 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -71.5 -36.7 71.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.693 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.19 -32.26 10.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.555 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.435 HD21 HG11 ' B' ' 57' ' ' VAL . 70.5 mt -75.32 -33.08 61.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.521 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.4 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 99.1 m -71.82 -55.13 8.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.628 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.6 -24.96 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.671 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.14 32.2 0.55 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.537 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.1 t -147.58 -53.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.554 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -55.97 -31.49 63.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.67 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.487 ' O ' ' O ' ' B' ' 90' ' ' TRP . 41.1 t-20 -44.39 -26.65 0.36 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.587 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -52.57 -45.72 66.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.607 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -62.71 -46.88 86.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.615 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.487 ' O ' ' O ' ' B' ' 87' ' ' ASN . 82.1 m95 -94.83 113.09 24.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.615 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -61.27 -11.65 10.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.648 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.403 ' O ' ' OG ' ' B' ' 93' ' ' SER . 31.0 t-20 66.5 90.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' B' ' 92' ' ' ASN . 47.6 p . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.611 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -71.34 155.57 40.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.549 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.44 -38.23 90.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.787 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.7 tm? -62.61 -47.61 83.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.344 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.76 -32.49 71.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.532 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.3 m -66.87 -37.11 83.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.545 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.45 -43.84 75.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.3 mmm -66.67 -38.13 86.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.415 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -53.97 -36.6 63.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.4 m -58.32 -45.6 87.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.781 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 11' ' ' LEU . 4.0 mm? -54.36 -31.23 54.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.441 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.5 mm -70.45 -44.1 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -59.99 -55.72 30.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.826 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 15' ' ' PHE . 11.7 p -61.6 -41.19 89.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.547 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.511 ' N ' HG13 ' A' ' 14' ' ' VAL . 74.8 t80 -60.07 -48.29 82.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.67 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -73.41 -19.04 61.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.691 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.8 -42.65 70.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.717 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.676 ' CD2' HD13 ' A' ' 36' ' ' LEU . 78.1 m-70 -84.35 -27.48 27.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.695 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 m -65.36 -14.79 61.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.602 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.1 1.82 30.74 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -74.79 -106.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.641 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -82.53 -27.86 31.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.679 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.95 174.77 48.64 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -87.15 -72.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.33 . . . . 0.0 110.544 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -144.19 -48.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.408 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -99.7 -4.59 30.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.352 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -95.17 129.76 42.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.471 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 tp -124.81 114.96 19.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 m -59.42 151.9 22.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.037 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HZ1' ' CD2' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -69.02 -38.87 79.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.574 179.7 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.12 -44.27 83.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.468 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -76.6 -28.24 56.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.82 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.766 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.8 tm? -64.51 -54.66 28.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.758 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' N ' HD13 ' A' ' 33' ' ' LEU . 17.1 ptmt -57.27 -38.19 73.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.816 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -78.94 -27.23 43.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.676 HD13 ' CD2' ' A' ' 18' ' ' HIS . 21.5 tp -62.63 -55.4 27.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.902 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -50.75 -49.4 58.02 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.499 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.684 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.3 pt20 -66.34 -25.56 66.87 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.048 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.7 m -76.93 -38.28 53.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.383 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -93.5 -27.02 16.91 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.376 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.63 46.86 1.83 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.807 0.337 . . . . 0.0 110.349 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.24 -28.89 67.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.64 -53.53 6.49 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.431 ' CE1' HG23 ' A' ' 82' ' ' THR . 19.6 m-85 -45.7 -64.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.586 0.232 . . . . 0.0 111.0 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 pp -55.27 -10.05 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 0.0 111.078 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -101.32 -11.37 19.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.761 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.81 -2.93 15.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.948 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.547 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.4 pp0? -99.7 139.44 35.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.696 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -105.17 -12.15 16.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.591 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.547 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 84.9 m-20 -61.36 105.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.588 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.2 t -77.67 -35.68 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -69.54 -34.68 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.815 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.77 -51.49 61.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.713 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.04 -32.32 53.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.584 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.62 -46.07 91.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.557 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -65.44 -38.33 89.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.526 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.467 HG11 HD21 ' A' ' 81' ' ' LEU . 96.3 t -74.61 -30.44 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.8 ttt -71.52 -51.41 23.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.406 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -64.88 -33.6 76.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.657 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -53.6 -31.06 45.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.554 ' CD2' ' HZ1' ' A' ' 30' ' ' LYS . 21.1 mt -64.42 -35.82 82.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.504 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.34 -27.63 61.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.609 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.89 -37.27 75.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.468 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.571 ' C ' ' H ' ' A' ' 66' ' ' ASP . 31.3 m-80 -90.33 24.61 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.749 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . -50.0 -5.77 0.07 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' A' ' 64' ' ' ASN . 57.3 t0 -35.07 -40.15 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.814 0.34 . . . . 0.0 110.641 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.48 -3.25 11.19 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -169.28 133.79 1.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.912 0.387 . . . . 0.0 110.808 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.573 HG11 ' HG ' ' A' ' 33' ' ' LEU . 28.2 m -91.73 -170.09 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.894 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -124.77 151.98 44.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.893 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -48.56 -48.6 38.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.856 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -57.03 -33.83 67.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.698 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.423 ' O ' HD23 ' A' ' 77' ' ' LEU . 77.5 mm-40 -75.6 -30.81 59.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.71 ' O ' HG13 ' A' ' 78' ' ' VAL . 29.9 t80 -68.51 -40.06 81.0 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.108 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.8 m -75.5 -28.86 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.8 -40.34 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 73' ' ' GLU . 2.6 pp -78.34 -35.3 47.75 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.075 -178.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.9 m -59.66 -41.27 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.461 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -75.01 -40.47 60.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.715 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.42 -30.57 2.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.467 HD21 HG11 ' A' ' 57' ' ' VAL . 76.8 mt -75.4 -38.64 59.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.656 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.431 HG23 ' CE1' ' A' ' 44' ' ' PHE . 95.7 m -63.86 -54.95 26.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.748 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.455 ' C ' ' H ' ' A' ' 85' ' ' CYS . 7.4 p -52.04 -36.43 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.722 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.29 30.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.455 ' H ' ' C ' ' A' ' 83' ' ' VAL . 47.3 t -149.49 -55.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.61 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 88' ' ' PHE . 89.4 m-20 -52.92 -36.41 59.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.565 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -40.4 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 86' ' ' ASN . 46.6 t80 -56.39 -39.76 73.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.684 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -55.66 -48.56 74.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.742 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -86.05 149.27 25.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.574 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -66.98 132.86 48.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.492 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -87.06 111.9 21.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.549 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.557 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.772 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -71.27 155.63 40.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.615 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.47 -38.16 90.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.497 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.794 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.7 tm? -62.68 -47.57 83.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.318 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.79 -32.47 71.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 39.3 m -66.87 -37.08 83.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.606 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.52 -43.84 76.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.547 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 61.0 mmm -66.62 -38.19 86.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.41 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -54.0 -36.54 63.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.516 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.7 m -58.36 -45.57 87.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.737 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.558 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -54.42 -31.27 54.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.41 -43.99 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.734 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -60.09 -55.63 31.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.882 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.5 HG13 ' N ' ' B' ' 15' ' ' PHE . 11.6 p -61.62 -41.06 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.68 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.5 ' N ' HG13 ' B' ' 14' ' ' VAL . 75.2 t80 -60.07 -48.36 82.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.688 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -73.27 -19.21 61.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.634 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.81 -42.49 70.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.782 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.672 ' CD2' HD13 ' B' ' 36' ' ' LEU . 78.1 m-70 -84.45 -27.55 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 16.3 m -65.27 -14.67 61.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.16 1.77 31.54 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -74.78 -106.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.724 0.297 . . . . 0.0 110.675 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -82.57 -27.74 31.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.682 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.88 174.74 48.49 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -87.07 -72.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 110.545 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -144.14 -48.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -99.7 -4.5 30.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.461 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -95.22 129.72 42.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.499 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 tp -124.74 114.92 19.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 5.8 m -59.25 151.77 22.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.063 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.525 ' HZ1' ' CD2' ' B' ' 61' ' ' LEU . 0.1 OUTLIER -69.0 -38.82 79.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.618 179.661 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.482 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.05 -44.39 82.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.954 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -76.3 -28.49 56.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.83 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.763 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.8 tm? -64.35 -54.85 26.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.698 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.452 ' N ' HD13 ' B' ' 33' ' ' LEU . 17.0 ptmt -57.11 -38.2 73.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.85 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -79.17 -26.98 42.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.672 HD13 ' CD2' ' B' ' 18' ' ' HIS . 21.4 tp -62.8 -55.35 27.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.812 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.694 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -50.75 -49.38 58.11 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.517 -178.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.694 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.3 pt20 -66.34 -25.53 66.86 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.05 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 41.7 m -76.94 -38.43 53.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.244 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -93.47 -26.89 16.99 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.379 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.65 46.86 1.83 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.875 0.369 . . . . 0.0 110.462 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.21 -28.78 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.77 -53.52 6.39 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.43 ' CE1' HG23 ' B' ' 82' ' ' THR . 19.3 m-85 -45.66 -64.33 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.597 0.237 . . . . 0.0 111.0 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 pp -55.29 -10.0 0.52 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.781 0.324 . . . . 0.0 111.035 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -101.29 -11.41 19.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.808 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.84 -2.88 15.08 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.538 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.4 pp0? -99.79 139.45 35.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.659 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -105.21 -12.16 16.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.488 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.538 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 85.1 m-20 -61.47 105.54 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.522 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 75.7 t -77.76 -35.47 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.696 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -69.65 -34.75 74.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.709 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.67 -51.51 62.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.752 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.95 -32.38 54.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.589 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.61 -46.08 91.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.612 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -65.46 -38.28 89.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.538 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.477 HG11 HD21 ' B' ' 81' ' ' LEU . 96.5 t -74.67 -30.3 24.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.573 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.8 ttt -71.67 -51.38 23.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.456 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -64.75 -33.74 76.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -53.56 -30.98 44.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.558 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.525 ' CD2' ' HZ1' ' B' ' 30' ' ' LYS . 21.0 mt -64.54 -35.77 82.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.467 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -73.37 -27.56 61.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.653 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.0 -37.2 75.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.555 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.556 ' C ' ' H ' ' B' ' 66' ' ' ASP . 31.1 m-80 -90.29 24.72 2.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.811 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' B' ' 66' ' ' ASP . . . -50.05 -5.86 0.08 OUTLIER Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.556 ' H ' ' C ' ' B' ' 64' ' ' ASN . 57.0 t0 -34.98 -40.12 0.11 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.717 0.294 . . . . 0.0 110.742 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.43 -3.16 11.25 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -169.27 133.98 1.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.567 HG11 ' HG ' ' B' ' 33' ' ' LEU . 27.1 m -92.44 -170.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.666 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -124.51 151.92 44.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.045 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -48.54 -48.66 38.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -56.88 -34.01 67.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.363 . . . . 0.0 110.73 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.417 ' O ' HD23 ' B' ' 77' ' ' LEU . 77.6 mm-40 -75.49 -30.8 59.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.693 ' O ' HG13 ' B' ' 78' ' ' VAL . 30.0 t80 -68.46 -40.09 81.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.137 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.52 -28.79 20.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.89 -40.48 31.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.417 HD23 ' O ' ' B' ' 73' ' ' GLU . 2.6 pp -78.36 -35.06 47.92 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.191 -0.604 . . . . 0.0 112.104 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.693 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.9 m -59.84 -41.18 84.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.375 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.464 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -75.01 -40.58 60.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.665 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.44 -30.44 2.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.741 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.477 HD21 HG11 ' B' ' 57' ' ' VAL . 76.8 mt -75.48 -38.64 59.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.617 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.43 HG23 ' CE1' ' B' ' 44' ' ' PHE . 95.1 m -63.96 -54.75 29.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.455 ' C ' ' H ' ' B' ' 85' ' ' CYS . 7.4 p -52.22 -36.36 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.661 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.31 30.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.455 ' H ' ' C ' ' B' ' 83' ' ' VAL . 47.1 t -149.52 -55.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.666 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' B' ' 88' ' ' PHE . 89.4 m-20 -52.86 -36.56 59.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.604 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -40.44 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' B' ' 86' ' ' ASN . 46.7 t80 -56.61 -39.7 74.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.612 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -55.56 -48.55 74.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -86.13 149.34 25.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -66.89 132.79 48.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.565 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -86.97 111.77 21.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.587 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.571 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -63.3 146.93 52.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 110.657 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -55.15 -31.76 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.721 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -56.13 -48.45 76.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.405 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -65.42 -34.43 78.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.509 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.0 p -69.37 -34.66 74.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.774 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.93 -38.38 67.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.516 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.6 mmm -76.8 -33.25 58.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.959 0.409 . . . . 0.0 110.398 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -57.07 -37.43 71.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.752 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.0 m -58.84 -40.53 84.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.595 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -61.2 -31.16 70.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.588 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.4 mm -69.92 -41.71 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -61.17 -55.62 30.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.12 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 15' ' ' PHE . 14.8 p -59.86 -37.86 73.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.824 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' N ' HG13 ' A' ' 14' ' ' VAL . 69.1 t80 -60.61 -40.61 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -82.29 -17.69 44.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.7 -35.42 57.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.785 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.637 ' CD2' HD13 ' A' ' 36' ' ' LEU . 57.7 m-70 -92.61 -12.56 31.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.828 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.0 m -76.96 9.04 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.81 0.338 . . . . 0.0 110.673 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.39 0.1 53.64 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -63.46 -52.04 63.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.68 0.276 . . . . 0.0 110.733 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -149.49 -44.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.566 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.72 148.7 3.51 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -42.79 -88.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.57 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -142.21 -55.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.476 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.7 34.98 1.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.166 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -136.41 148.29 47.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.577 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.0 tp -133.44 125.65 29.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.8 p -75.04 144.49 43.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -66.18 -30.08 70.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.426 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -56.52 -45.15 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.038 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -80.35 -28.21 38.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.35 . . . . 0.0 110.767 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.712 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.9 tm? -53.76 -52.95 58.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.902 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 17.8 ptmt -51.42 -39.17 56.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 70.0 mt-10 -79.19 -27.26 42.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.796 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.637 HD13 ' CD2' ' A' ' 18' ' ' HIS . 22.5 tp -63.34 -55.97 20.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.791 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.722 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.4 pp -51.65 -50.8 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.537 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.722 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.0 pt20 -65.25 -25.69 67.78 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.191 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.6 m -70.53 -42.37 71.34 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.42 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.75 -27.06 16.71 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.344 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 mp -115.07 40.04 2.75 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.728 0.299 . . . . 0.0 110.325 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.431 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 1.2 p -65.68 -28.59 69.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.921 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.25 -47.37 29.98 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -51.37 -63.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.669 0.271 . . . . 0.0 110.988 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 42' ' ' SER . 3.0 pp -56.96 -27.38 61.16 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.058 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 42' ' ' SER . 91.5 m-20 -72.71 -41.1 65.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.617 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.94 39.43 1.79 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.398 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -99.84 137.38 38.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.646 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -104.79 -13.55 15.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.49 ' OD2' ' O ' ' A' ' 84' ' ' ALA . 21.4 m-20 -91.53 106.05 18.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.52 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.1 t -80.04 -32.15 13.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.575 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 58.3 t0 -70.31 -35.41 73.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.96 -51.47 69.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.63 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.8 -31.92 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -58.33 -46.22 86.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.71 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.83 -36.78 85.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.534 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.65 -30.26 24.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.503 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.9 ttm -72.63 -51.52 19.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.52 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -64.3 -31.72 73.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.581 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -52.93 -31.84 42.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.42 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.39 -43.39 92.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.609 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -65.6 -33.84 76.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.39 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -69.59 -35.17 75.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.044 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -101.69 95.63 6.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.575 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -119.66 -5.18 11.27 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' GLY . 43.4 t0 -36.79 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.95 0.405 . . . . 0.0 110.543 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 96.87 -6.34 64.41 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -143.31 132.15 22.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 110.396 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.575 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -92.71 -154.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.309 -179.685 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.575 ' H ' HG12 ' A' ' 69' ' ' VAL . 49.4 t0 -150.14 141.72 23.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.861 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.473 ' CE2' ' HB1' ' B' ' 79' ' ' ALA . 44.9 t80 -48.71 -50.13 34.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.698 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -57.54 -33.65 68.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.655 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' O ' HD23 ' A' ' 77' ' ' LEU . 72.0 mm-40 -75.45 -30.89 60.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.574 ' O ' HG13 ' A' ' 78' ' ' VAL . 15.0 t80 -69.23 -41.97 76.28 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.946 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.17 -28.08 20.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -39.37 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.5 pp -77.63 -34.76 53.16 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.928 -178.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 74' ' ' TYR . 30.3 m -61.69 -42.02 92.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.336 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB1' ' CE2' ' B' ' 71' ' ' PHE . . . -70.11 -38.74 75.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.624 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.52 -31.79 16.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.474 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.6 mt -75.16 -34.24 61.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.6 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.7 m -69.88 -55.1 10.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.754 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.52 -30.85 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.696 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.49 ' O ' ' OD2' ' A' ' 50' ' ' ASP . . . -64.05 -39.18 93.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.71 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.8 m -83.44 -50.54 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.691 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -51.7 -36.12 45.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.572 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -50.61 -24.75 3.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.723 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -58.55 -45.57 88.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -50.39 -42.56 53.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.56 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -88.64 130.56 35.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.598 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -94.27 128.32 40.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -98.63 65.87 1.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.5 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.578 179.909 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.771 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -63.26 146.93 52.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.324 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -55.11 -31.82 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.677 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.639 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.4 OUTLIER -56.19 -48.37 76.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.395 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.57 -34.22 77.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.555 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 62.1 p -69.49 -34.68 74.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.779 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.8 -38.44 67.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.617 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.1 mmm -76.69 -33.35 58.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.39 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -57.13 -37.41 71.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.783 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 23.7 m -58.72 -40.57 84.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.787 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.575 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.7 mm? -61.11 -31.23 70.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.621 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.5 mm -69.86 -41.9 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -60.95 -55.75 29.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.078 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.429 HG13 ' N ' ' B' ' 15' ' ' PHE . 14.6 p -59.91 -37.8 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.736 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.429 ' N ' HG13 ' B' ' 14' ' ' VAL . 69.6 t80 -60.67 -40.46 92.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.711 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -82.33 -17.76 44.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.779 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.56 -35.59 58.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.644 ' CD2' HD13 ' B' ' 36' ' ' LEU . 57.6 m-70 -92.56 -12.51 31.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 72.5 m -77.03 9.18 3.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.601 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.39 0.03 53.63 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -63.44 -51.99 63.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.718 0.294 . . . . 0.0 110.701 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -149.61 -44.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.614 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.74 148.64 3.56 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -42.65 -88.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -142.07 -55.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.66 35.0 1.41 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.207 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -136.43 148.28 47.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.604 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 26.3 tp -133.39 125.7 29.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.341 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.9 p -75.23 144.52 42.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -66.13 -30.06 70.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.47 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -56.57 -45.15 81.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.018 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -80.25 -28.37 38.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.697 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.724 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.9 tm? -53.64 -53.02 57.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.959 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 17.8 ptmt -51.36 -39.29 56.79 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.804 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 70.1 mt-10 -79.07 -27.22 43.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.947 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.644 HD13 ' CD2' ' B' ' 18' ' ' HIS . 22.7 tp -63.35 -55.97 20.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.792 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.728 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.4 pp -51.76 -50.62 60.31 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.493 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.728 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.0 pt20 -65.47 -25.5 67.53 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.179 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.1 m -70.73 -42.29 70.75 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.358 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.75 -26.99 16.75 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.318 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 mp -115.05 39.79 2.81 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.705 0.288 . . . . 0.0 110.319 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.444 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 1.2 p -65.36 -28.62 69.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.992 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.27 -47.33 30.04 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -51.61 -63.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.061 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' B' ' 42' ' ' SER . 2.9 pp -57.06 -27.5 61.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.953 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' B' ' 42' ' ' SER . 91.9 m-20 -72.76 -40.97 65.57 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.656 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.93 39.48 1.77 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.445 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -99.95 137.38 38.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.626 -179.733 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -104.84 -13.5 15.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.524 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.486 ' OD2' ' O ' ' B' ' 84' ' ' ALA . 21.2 m-20 -91.63 106.12 18.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.619 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 94.3 t -80.26 -31.99 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.473 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' B' ' 52' ' ' ASP . 58.4 t0 -70.25 -35.41 73.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.69 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -51.52 68.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.646 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.0 p -68.75 -32.07 53.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.601 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -58.23 -46.34 86.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.8 -36.81 85.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.524 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 91.1 t -74.67 -30.24 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.0 ttm -72.62 -51.54 19.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.607 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -64.2 -31.76 73.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.584 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -52.95 -31.71 41.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.445 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 62.6 mt -59.43 -43.44 93.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.571 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -65.7 -33.73 76.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.415 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -69.6 -35.23 75.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.999 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -101.63 95.58 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.27 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -119.56 -5.1 11.42 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' B' ' 65' ' ' GLY . 43.4 t0 -36.72 -26.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.4 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 97.08 -7.11 64.34 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -142.18 132.57 25.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.882 0.373 . . . . 0.0 110.471 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.556 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.5 OUTLIER -94.16 -154.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.034 -179.563 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.556 ' H ' HG12 ' B' ' 69' ' ' VAL . 49.3 t0 -150.06 141.78 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.897 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.482 ' CE2' ' HB1' ' A' ' 79' ' ' ALA . 45.0 t80 -48.73 -50.09 35.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.795 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -57.52 -33.65 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.746 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.403 ' O ' HD23 ' B' ' 77' ' ' LEU . 72.1 mm-40 -75.34 -31.06 60.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.574 ' O ' HG13 ' B' ' 78' ' ' VAL . 15.0 t80 -69.22 -41.98 76.34 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.859 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.22 -28.11 20.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.63 -39.46 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.427 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.5 pp -77.67 -34.82 52.86 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.892 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.574 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.8 m -61.43 -42.15 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.479 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.473 ' HB1' ' CE2' ' A' ' 71' ' ' PHE . . . -70.02 -38.79 76.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.771 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.57 -31.59 16.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.9 mt -75.36 -34.27 61.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.578 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 31.3 m -69.7 -55.13 10.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 p -57.72 -30.75 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.643 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.486 ' O ' ' OD2' ' B' ' 50' ' ' ASP . . . -64.03 -39.2 93.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.677 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 73.7 m -83.52 -50.33 8.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.768 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -51.86 -36.0 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.607 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -50.63 -24.91 3.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.726 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -58.5 -45.63 88.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -50.11 -42.59 50.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.752 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -88.66 130.53 35.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.547 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -94.34 128.43 40.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.541 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -98.58 65.79 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.52 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.729 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -75.8 157.07 33.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.748 0.308 . . . . 0.0 110.618 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -59.78 -37.94 80.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -60.94 -48.61 81.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.183 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.74 -31.31 70.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.27 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.7 m -69.51 -34.94 75.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.602 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.38 -47.16 76.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.59 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.6 mmm -68.15 -36.18 79.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.5 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -56.14 -33.49 65.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.515 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.7 m -60.99 -42.9 99.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.729 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -59.8 -31.23 69.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.479 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.2 mm -70.0 -44.17 78.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.968 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -60.01 -54.8 41.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 15' ' ' PHE . 11.5 p -62.05 -41.32 90.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.735 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.505 ' N ' HG13 ' A' ' 14' ' ' VAL . 89.4 t80 -57.96 -40.93 81.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -79.9 -18.3 50.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.601 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.74 -42.65 60.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.64 ' CD2' HD13 ' A' ' 36' ' ' LEU . 65.1 m-70 -84.37 -10.31 57.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.738 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.3 m -76.17 2.78 12.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.588 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.88 -1.47 67.63 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -69.88 -74.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 110.589 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -115.02 -30.74 6.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.494 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.55 152.36 52.32 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -63.53 -52.34 61.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.538 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -169.18 -45.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.644 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.38 28.26 7.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.147 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -136.08 149.32 48.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.458 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 tp -139.16 127.3 22.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.474 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 p -74.35 145.17 44.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -66.37 -30.13 70.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.342 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -56.41 -45.18 80.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.801 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -80.63 -28.01 37.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.698 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.702 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.5 tm? -53.54 -55.4 25.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 10.8 ptmm? -51.39 -38.38 53.13 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.824 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 93.6 mt-10 -78.88 -27.06 43.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.64 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.7 tp -65.27 -56.3 13.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.72 -179.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.705 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.66 -50.37 60.49 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.604 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.705 ' N ' HD12 ' A' ' 37' ' ' LEU . 12.4 pt20 -65.66 -25.4 67.33 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.276 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.2 m -72.36 -42.06 65.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.724 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.73 -26.75 16.87 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.286 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.5 46.3 1.64 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.796 0.332 . . . . 0.0 110.303 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.4 ' HA ' HD21 ' A' ' 45' ' ' LEU . 24.6 p -68.66 -35.6 77.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.99 -46.63 80.03 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -50.0 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.741 0.305 . . . . 0.0 110.826 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' A' ' 42' ' ' SER . 2.9 pp -54.62 -24.35 21.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.046 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.11 -45.04 51.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.534 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.58 42.95 1.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.393 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.484 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -104.1 133.56 48.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.696 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -101.31 -23.52 14.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.421 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -77.16 105.73 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -80.61 -31.99 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.643 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -72.05 -33.43 67.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.719 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.76 -51.25 67.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.67 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.86 -32.59 58.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.589 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -59.91 -43.37 94.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.641 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.54 -38.09 89.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.3 t -75.25 -30.64 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.648 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.4 ttt -71.89 -50.89 25.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.5 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -64.58 -31.71 73.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.521 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -54.21 -33.98 59.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.633 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.2 mt -59.42 -39.74 84.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.637 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -70.17 -31.2 68.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.557 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -69.31 -38.47 78.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.286 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -100.99 97.01 7.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.419 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.565 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -119.67 -6.37 10.44 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' GLY . 27.7 t70 -36.56 -26.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.777 0.322 . . . . 0.0 110.53 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 99.44 -6.37 59.26 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -142.96 131.73 22.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.189 0.518 . . . . 0.0 110.399 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.597 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.92 -154.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.33 -179.568 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.597 ' H ' HG12 ' A' ' 69' ' ' VAL . 22.5 t0 -149.6 143.65 25.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.914 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -48.7 -51.67 27.44 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.819 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -57.43 -34.13 68.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.609 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -74.64 -30.44 61.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.691 ' O ' HG22 ' A' ' 78' ' ' VAL . 10.7 t80 -68.46 -43.18 77.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.855 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.9 m -75.07 -27.86 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -38.41 39.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 120.468 -0.493 . . . . 0.0 112.288 -178.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -78.3 -42.45 30.74 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.741 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 74' ' ' TYR . 17.9 m -62.11 -32.4 54.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.285 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.06 -37.62 64.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.431 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.77 -24.01 47.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.703 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.6 mt -75.04 -33.23 61.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.62 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.527 HG22 ' OD1' ' A' ' 86' ' ' ASN . 91.1 m -68.13 -53.0 28.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.686 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.85 -23.56 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.699 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.58 24.66 0.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.705 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.0 t -153.41 -43.51 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.527 ' OD1' HG22 ' A' ' 82' ' ' THR . 10.5 m120 -53.5 -31.49 46.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.635 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 90' ' ' TRP . 19.6 t30 -49.53 -31.91 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -49.07 -44.45 41.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.64 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -63.14 -32.82 74.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.548 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.479 ' O ' ' O ' ' A' ' 87' ' ' ASN . 92.1 m95 -95.31 142.76 27.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.613 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -147.28 115.57 6.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.534 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -67.63 -36.59 81.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.572 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.571 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -75.99 157.0 33.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 110.63 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -59.5 -38.1 80.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.619 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -60.8 -48.76 80.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.119 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.73 -31.29 70.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.301 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 89.9 m -69.46 -34.95 75.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.664 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.19 76.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.541 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.7 mmm -68.16 -36.22 79.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.918 0.39 . . . . 0.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -56.08 -33.63 65.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.553 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.6 m -60.75 -43.13 98.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.771 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.598 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -59.55 -31.38 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.499 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 14.3 mm -70.02 -44.2 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -60.04 -54.69 43.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.5 HG13 ' N ' ' B' ' 15' ' ' PHE . 11.7 p -62.12 -41.4 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.724 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.5 ' N ' HG13 ' B' ' 14' ' ' VAL . 89.3 t80 -57.7 -40.95 80.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.658 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -79.91 -18.45 50.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.86 -42.58 60.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.636 ' CD2' HD13 ' B' ' 36' ' ' LEU . 65.8 m-70 -84.29 -10.33 57.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.785 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m -76.17 2.76 12.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.593 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.92 -1.49 67.51 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -69.94 -74.01 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.705 0.288 . . . . 0.0 110.55 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -115.06 -30.82 6.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.51 152.27 52.27 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -63.43 -52.33 61.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.639 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -169.11 -45.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.568 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.22 28.16 7.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -136.07 149.49 48.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.45 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -139.2 127.37 22.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.426 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.1 p -74.61 145.24 43.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -66.47 -29.89 70.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.299 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -56.74 -45.12 82.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.673 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -80.43 -28.23 37.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.718 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.699 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.5 tm? -53.41 -55.48 24.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.416 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 10.9 ptmm? -51.38 -38.45 53.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.914 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.416 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 93.6 mt-10 -78.82 -26.97 44.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.636 HD13 ' CD2' ' B' ' 18' ' ' HIS . 20.7 tp -65.25 -56.32 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.722 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.717 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.73 -50.25 60.94 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.569 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.717 ' N ' HD12 ' B' ' 37' ' ' LEU . 12.4 pt20 -65.75 -25.44 67.28 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.251 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 66.5 m -72.38 -42.09 65.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.656 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.65 -26.82 16.89 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.322 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.48 46.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 0.0 110.451 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.403 ' HA ' HD21 ' B' ' 45' ' ' LEU . 24.7 p -68.72 -35.49 77.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.05 -46.6 79.75 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -49.96 -66.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.695 0.283 . . . . 0.0 110.744 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' B' ' 42' ' ' SER . 3.0 pp -54.58 -24.31 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.939 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.09 -45.21 50.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.46 43.06 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.474 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -104.18 133.43 49.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.631 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -101.34 -23.29 14.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -77.24 105.79 8.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -80.59 -32.01 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.643 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -72.14 -33.35 67.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.742 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.56 -51.49 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.71 -32.59 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.664 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -59.88 -43.41 94.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.682 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.44 -38.05 89.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.9 t -75.35 -30.64 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.588 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 6.4 ttt -71.76 -51.01 24.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.392 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.4 ' HG2' ' HZ2' ' B' ' 59' ' ' LYS . 3.9 pttm -64.62 -31.57 72.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.539 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -54.21 -34.05 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.609 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 63.3 mt -59.51 -39.67 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.62 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -70.1 -31.26 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.561 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -69.41 -38.46 77.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.118 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -101.02 97.07 7.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.42 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -119.78 -6.28 10.39 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' B' ' 65' ' ' GLY . 27.7 t70 -36.66 -26.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 110.503 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 99.56 -7.19 59.48 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -141.62 131.92 25.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.569 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -94.46 -154.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.035 -179.442 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.569 ' H ' HG12 ' B' ' 69' ' ' VAL . 22.7 t0 -149.38 143.81 26.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.918 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -48.63 -51.82 26.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.79 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -57.25 -34.32 68.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.57 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -74.52 -30.53 61.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.709 ' O ' HG22 ' B' ' 78' ' ' VAL . 10.9 t80 -68.35 -43.28 77.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.931 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 31.0 m -75.01 -27.76 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -38.21 37.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 120.427 -0.509 . . . . 0.0 112.261 -178.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.58 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.5 pp -78.41 -42.4 30.25 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.622 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.709 HG22 ' O ' ' B' ' 74' ' ' TYR . 17.7 m -62.16 -32.39 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.09 -37.5 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.482 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.9 -23.93 48.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.691 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.12 -33.23 61.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.545 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.507 HG22 ' OD1' ' B' ' 86' ' ' ASN . 89.6 m -68.01 -53.0 29.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.763 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 10.9 p -61.94 -23.54 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.604 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.48 24.52 0.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.646 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.8 t -153.31 -43.43 0.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.587 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.507 ' OD1' HG22 ' B' ' 82' ' ' THR . 10.5 m120 -53.57 -31.51 46.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.562 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.466 ' O ' ' O ' ' B' ' 90' ' ' TRP . 19.5 t30 -49.5 -31.82 10.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -49.27 -44.39 43.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -63.07 -32.82 74.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.466 ' O ' ' O ' ' B' ' 87' ' ' ASN . 92.2 m95 -95.39 142.74 27.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -147.22 115.5 6.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -67.59 -36.6 81.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.534 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.578 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.75 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -68.91 156.55 38.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -52.32 -29.3 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.602 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.69 -48.72 68.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -65.09 -32.87 74.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.67 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.7 p -69.4 -34.5 74.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.79 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.85 -41.95 71.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.544 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.8 mmm -70.71 -34.55 72.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.374 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -56.7 -35.33 68.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.571 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.5 m -60.21 -42.48 95.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.6 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -59.03 -31.4 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.634 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.5 mm -70.33 -40.41 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.769 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -60.04 -55.68 30.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.9 p -61.46 -39.22 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.737 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.448 ' N ' HG13 ' A' ' 14' ' ' VAL . 72.2 t80 -59.5 -42.81 93.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.572 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -80.37 -17.72 51.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.671 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.42 -42.13 54.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.964 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.528 ' CD2' HD13 ' A' ' 36' ' ' LEU . 40.9 m-70 -86.74 -9.74 55.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.87 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -77.73 4.06 12.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.867 0.365 . . . . 0.0 110.528 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.79 -8.7 59.15 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -64.7 -72.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.797 0.332 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -117.41 -13.6 10.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.37 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.18 153.63 34.14 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -86.75 -32.19 20.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.801 0.334 . . . . 0.0 110.574 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -169.66 -91.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.539 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.28 28.04 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 25' ' ' LYS . 45.2 mtmt -121.87 142.04 50.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.624 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 tp -139.46 123.44 17.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.308 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -75.16 143.44 43.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.043 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -68.79 -29.69 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.456 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -56.69 -44.86 81.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.888 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.45 -28.17 37.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.663 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.674 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.4 tm? -53.46 -52.58 59.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.894 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -51.25 -36.96 44.48 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.768 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' A' ' 39' ' ' THR . 95.7 mt-10 -79.2 -27.35 42.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.823 0.344 . . . . 0.0 110.836 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.528 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.9 tp -66.69 -56.23 11.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.805 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.58 -49.12 62.71 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.274 -178.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.681 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.8 pt20 -67.7 -25.57 65.74 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.928 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 42.1 m -72.84 -39.61 66.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.167 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -92.99 -26.75 17.4 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.234 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.58 45.73 2.07 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.682 0.277 . . . . 0.0 110.481 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -68.32 -31.03 70.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.66 -53.0 7.67 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -44.82 -66.96 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.011 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 pp -54.37 -12.84 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.922 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -99.64 -17.06 17.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.787 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.17 -2.93 30.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.773 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.582 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 5.1 pp0? -105.36 146.83 28.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.643 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -115.69 9.82 15.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.404 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.582 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 94.6 m-20 -79.25 106.04 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.657 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.3 t -76.02 -38.83 36.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.692 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -69.03 -38.81 79.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.97 -51.51 66.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.676 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 50' ' ' ASP . 9.4 p -68.95 -34.41 64.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.32 -46.91 72.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.621 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -60.63 -38.18 83.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.641 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.89 -30.49 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.56 -51.2 24.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.433 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -63.99 -31.55 72.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.584 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -54.15 -31.96 53.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.7 -39.78 92.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.554 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -74.22 -27.64 60.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.753 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -73.15 -41.18 64.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.505 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -100.93 32.86 3.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.591 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.45 16.32 7.98 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -48.55 -45.09 37.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.85 0.357 . . . . 0.0 110.532 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.3 -15.87 3.43 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -142.71 132.63 24.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.05 0.452 . . . . 0.0 110.446 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.594 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -92.62 -154.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.413 -179.501 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.594 ' H ' HG12 ' A' ' 69' ' ' VAL . 12.7 m-20 -150.16 141.26 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.819 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.463 ' CE2' ' HB1' ' B' ' 79' ' ' ALA . 37.4 t80 -48.52 -49.74 34.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.789 0.328 . . . . 0.0 110.681 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.06 -33.42 72.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.633 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' O ' HD23 ' A' ' 77' ' ' LEU . 17.2 mm-40 -74.29 -30.85 62.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.055 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.551 ' O ' HG13 ' A' ' 78' ' ' VAL . 15.4 t80 -70.67 -42.47 70.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.848 0.356 . . . . 0.0 110.958 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 m -74.94 -27.77 20.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.53 -40.4 33.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -76.89 -35.02 57.69 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.971 -178.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 74' ' ' TYR . 30.1 m -62.06 -41.53 91.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.352 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB1' ' CE2' ' B' ' 71' ' ' PHE . . . -67.98 -39.82 83.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.45 -32.78 12.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.597 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.1 mt -75.43 -29.84 59.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.597 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.7 m -69.54 -55.14 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.992 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.29 -26.97 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.821 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.81 -22.52 66.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.808 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.9 t -93.81 -56.09 3.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.771 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -47.13 -33.99 5.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.776 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.475 ' O ' ' O ' ' A' ' 90' ' ' TRP . 7.9 t30 -52.69 -28.16 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.634 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -51.47 -48.15 62.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.659 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -58.28 -36.16 72.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.475 ' O ' ' O ' ' A' ' 87' ' ' ASN . 65.0 m95 -95.42 162.0 13.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -128.28 148.63 50.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.469 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.4 ' O ' ' OXT' ' A' ' 93' ' ' SER . 44.7 t30 -146.36 -6.91 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.637 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.4 ' OXT' ' O ' ' A' ' 92' ' ' ASN . 4.8 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.523 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.596 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -68.95 156.62 38.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.602 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -52.37 -29.29 23.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.639 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.4 OUTLIER -66.83 -48.72 68.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.493 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.95 -32.9 74.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.683 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 77.5 p -69.37 -34.61 74.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.817 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.83 -41.92 71.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.649 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 58.7 mmm -70.58 -34.66 72.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.488 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -56.55 -35.4 68.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.575 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 23.6 m -60.27 -42.38 95.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.6 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -58.96 -31.51 68.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.615 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.36 -40.27 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.808 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -60.1 -55.53 32.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.941 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.438 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.7 p -61.6 -39.22 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.685 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.438 ' N ' HG13 ' B' ' 14' ' ' VAL . 72.0 t80 -59.49 -42.83 93.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.548 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -80.47 -17.58 51.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.768 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.47 -42.08 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.528 ' CD2' HD13 ' B' ' 36' ' ' LEU . 41.4 m-70 -86.68 -9.83 55.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.956 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.6 m -77.66 4.11 12.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.503 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.98 -8.51 59.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -64.71 -72.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.856 0.36 . . . . 0.0 110.4 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -117.25 -13.75 10.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.02 153.67 34.46 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -86.71 -32.3 20.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 110.54 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.407 ' C ' ' H ' ' B' ' 27' ' ' LYS . 0.2 OUTLIER -169.6 -91.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.35 28.08 0.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.299 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' B' ' 25' ' ' LYS . 45.2 mtmt -121.89 141.97 50.73 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -139.42 123.53 17.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.301 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -75.22 143.4 43.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.256 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -68.74 -29.78 68.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.444 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -56.62 -44.91 81.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.914 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.29 -28.34 38.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.906 0.384 . . . . 0.0 110.657 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.666 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.5 tm? -53.5 -52.54 59.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.792 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -51.27 -36.92 44.47 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.763 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -79.27 -27.29 42.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.822 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.528 HD13 ' CD2' ' B' ' 18' ' ' HIS . 20.9 tp -66.57 -56.3 11.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.84 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.692 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.54 -49.06 62.74 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.373 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.692 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.9 pt20 -67.61 -25.63 65.85 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.006 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 43.0 m -72.82 -39.65 66.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.217 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -93.02 -26.57 17.45 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.214 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.77 45.8 2.07 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.439 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -68.38 -30.91 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.001 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.79 -52.88 7.69 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -44.89 -67.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.627 0.251 . . . . 0.0 110.89 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 pp -54.28 -12.82 0.72 Allowed 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.823 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -99.69 -17.11 17.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.728 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.13 -2.96 30.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.712 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.578 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 5.1 pp0? -105.41 146.83 28.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.627 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -115.59 9.79 15.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.478 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.578 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 94.5 m-20 -79.24 106.0 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.639 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -76.08 -38.64 35.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -69.01 -38.92 79.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.9 -51.44 66.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.799 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.436 HG12 ' O ' ' B' ' 50' ' ' ASP . 9.3 p -69.08 -34.23 62.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.664 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.49 -46.76 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.609 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -60.83 -38.11 84.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.627 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.5 t -76.78 -30.56 18.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.634 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.53 -51.4 23.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -63.93 -31.56 72.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -54.04 -31.98 53.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.56 -39.83 92.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.648 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.2 -27.68 60.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.771 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -73.12 -41.09 64.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.468 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -101.02 32.72 3.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.481 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.5 16.48 7.8 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -48.71 -44.91 38.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 110.512 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.44 -16.86 3.35 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -141.16 133.22 27.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 0.0 110.526 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.58 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -94.14 -154.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.199 -179.54 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.58 ' H ' HG12 ' B' ' 69' ' ' VAL . 12.8 m-20 -150.06 141.43 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.028 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.468 ' CE2' ' HB1' ' A' ' 79' ' ' ALA . 37.0 t80 -48.6 -49.65 35.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.352 . . . . 0.0 110.766 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.13 -33.4 72.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.432 ' O ' HD23 ' B' ' 77' ' ' LEU . 17.1 mm-40 -74.18 -30.93 62.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.548 ' O ' HG13 ' B' ' 78' ' ' VAL . 15.5 t80 -70.73 -42.23 70.82 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.966 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.8 m -75.03 -27.93 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.44 -40.33 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.432 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -76.99 -34.97 57.49 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.883 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.548 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.4 m -62.03 -41.69 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.348 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.467 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -67.89 -39.88 83.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.838 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.5 -32.68 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.635 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.2 mt -75.36 -29.94 60.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.562 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.9 m -69.57 -55.22 10.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.887 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.0 p -60.06 -27.1 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.929 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.85 -22.49 65.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.792 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.5 t -93.73 -56.17 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.756 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -47.27 -33.88 6.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.475 ' O ' ' O ' ' B' ' 90' ' ' TRP . 7.8 t30 -52.66 -28.14 20.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.787 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -51.56 -48.07 63.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.634 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -58.24 -36.26 72.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.622 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.475 ' O ' ' O ' ' B' ' 87' ' ' ASN . 65.4 m95 -95.39 162.06 13.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.581 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -128.4 148.51 50.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.434 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.401 ' O ' ' OXT' ' B' ' 93' ' ' SER . 44.8 t30 -146.31 -6.98 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.401 ' OXT' ' O ' ' B' ' 92' ' ' ASN . 4.8 t . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.523 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.752 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -61.64 155.43 22.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.582 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -60.72 -40.36 92.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.631 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.798 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.7 tm? -65.78 -48.39 71.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.213 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.92 -33.54 73.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.489 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.3 m -68.88 -35.12 76.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.57 77.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.528 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.5 mmm -64.8 -38.77 92.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.495 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 7.6 tt0 -55.02 -35.52 64.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.695 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.5 m -59.79 -44.59 93.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.753 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.577 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -55.92 -31.6 63.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.447 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -70.57 -40.05 76.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.69 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 8.7 m-80 -63.91 -55.68 20.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.746 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.0 p -62.33 -39.68 85.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' N ' HG13 ' A' ' 14' ' ' VAL . 92.8 t80 -60.52 -45.16 94.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.569 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -80.08 -19.18 48.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.783 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.59 -37.45 79.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.625 ' CD2' HD13 ' A' ' 36' ' ' LEU . 66.1 m-70 -91.72 -17.53 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.717 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 47.1 m -63.96 -24.84 67.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.81 -8.02 32.08 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -68.77 -106.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.452 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -87.0 -33.68 19.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.541 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.88 150.41 51.52 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.53 -62.8 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 110.573 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -145.34 -76.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.66 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -83.66 -5.08 59.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.227 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -92.81 147.48 22.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.373 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 tp -146.42 114.92 6.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.92 0.39 . . . . 0.0 110.588 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.51 150.02 23.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.792 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.61 ' HZ2' HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -68.85 -30.25 68.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.976 0.417 . . . . 0.0 110.41 179.333 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.77 -43.21 80.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.513 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -80.15 -28.34 38.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.307 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.66 ' C ' HD13 ' A' ' 33' ' ' LEU . 1.9 tm? -62.17 -56.14 21.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.569 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -52.11 -38.86 58.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.916 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' O ' ' OG1' ' A' ' 39' ' ' THR . 30.7 mt-10 -78.92 -27.21 43.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.625 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.8 tp -66.21 -56.28 12.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.639 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.704 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -52.47 -50.03 63.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.513 -178.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.704 ' N ' HD12 ' A' ' 37' ' ' LEU . 13.5 pt20 -66.04 -25.55 67.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.032 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 55.1 m -73.85 -38.31 64.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.082 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.447 ' HB3' HD12 ' B' ' 4' ' ' LEU . 69.3 mm-40 -93.45 -26.88 17.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.288 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.12 45.08 2.06 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.736 0.303 . . . . 0.0 110.41 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -68.25 -27.59 66.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.19 -52.31 4.93 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.414 ' C ' ' H ' ' A' ' 46' ' ' ASP . 12.6 m-85 -45.89 -64.58 0.71 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.574 0.226 . . . . 0.0 110.917 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.83 -9.53 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.048 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 44' ' ' PHE . 16.4 t70 -105.69 -16.18 14.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.701 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.25 -2.94 21.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.768 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.51 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.9 pp0? -99.53 134.48 42.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.768 0.318 . . . . 0.0 110.735 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -98.42 -3.34 37.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.475 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.51 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 83.3 m-20 -71.63 104.3 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.66 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -80.41 -28.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.423 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -72.78 -39.48 66.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.727 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.12 -51.38 69.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.606 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.11 -31.86 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.716 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -62.42 -40.77 97.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.698 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -72.38 -37.38 68.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.081 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.7 t -77.28 -48.15 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.209 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.657 ' SD ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -60.24 -44.09 95.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.935 -179.271 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.657 ' N ' ' SD ' ' A' ' 58' ' ' MET . 23.5 pttt -68.74 -33.29 73.67 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.513 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -52.85 -28.62 23.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.402 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.3 mt -67.72 -38.63 83.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.628 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.65 -31.93 70.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -80.06 -37.4 33.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.58 ' C ' ' H ' ' A' ' 66' ' ' ASP . 16.5 m-20 -87.49 24.19 1.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.674 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . -58.74 4.54 0.09 OUTLIER Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' A' ' 64' ' ' ASN . 50.4 m-20 -34.9 -35.33 0.04 OUTLIER 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.881 0.372 . . . . 0.0 110.519 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 121.15 -4.57 11.28 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -173.6 135.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.158 0.504 . . . . 0.0 111.437 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.61 HG13 ' HZ2' ' A' ' 30' ' ' LYS . 10.7 m -91.51 -172.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.565 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -126.61 154.34 44.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -49.11 -53.2 21.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.622 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -56.18 -33.55 65.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -76.16 -30.81 58.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.652 ' O ' HG13 ' A' ' 78' ' ' VAL . 26.7 t80 -69.02 -40.52 78.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.5 m -75.07 -28.67 21.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.076 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.71 -39.68 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.7 pp -78.24 -35.13 48.7 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.895 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.5 m -61.2 -41.95 91.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.197 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -70.58 -37.36 73.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.494 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.8 -31.27 26.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.44 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.0 mt -75.62 -36.74 60.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.546 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.1 m -66.0 -55.13 18.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.715 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' A' ' 85' ' ' CYS . 12.1 p -54.39 -34.85 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.653 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.12 23.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.549 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.451 ' H ' ' C ' ' A' ' 83' ' ' VAL . 21.8 t -137.03 -65.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.488 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -53.79 -28.47 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -45.48 -28.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -51.54 -36.42 44.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.497 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -60.23 -43.19 96.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -85.89 133.95 33.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.544 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -142.88 -160.3 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.596 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 57.76 42.97 22.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.658 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.548 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.729 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -61.51 155.49 21.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 110.628 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -60.78 -40.42 92.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.665 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.798 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.7 tm? -65.77 -48.31 72.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.188 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.97 -33.61 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.469 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 33.0 m -68.74 -35.25 76.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.562 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.44 -46.52 76.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.662 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 56.4 mmm -64.89 -38.66 91.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.523 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 7.6 tt0 -55.06 -35.6 64.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.596 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.2 m -59.77 -44.6 93.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.786 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.562 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -55.92 -31.55 62.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.49 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -70.58 -40.01 76.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.684 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 8.8 m-80 -64.01 -55.63 20.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.783 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.466 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.3 p -62.26 -39.77 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.75 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.466 ' N ' HG13 ' B' ' 14' ' ' VAL . 92.8 t80 -60.47 -45.09 95.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.658 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -80.05 -19.25 48.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.717 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.55 -37.47 79.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.727 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.615 ' CD2' HD13 ' B' ' 36' ' ' LEU . 66.0 m-70 -91.62 -17.61 25.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.705 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.6 m -63.97 -24.77 67.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.594 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.86 -8.11 32.84 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -68.63 -106.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 110.484 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -86.9 -33.77 19.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.483 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.92 150.49 51.57 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -70.6 -62.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.718 0.294 . . . . 0.0 110.562 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -145.31 -76.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.746 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -83.87 -4.98 59.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.372 . . . . 0.0 110.239 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -92.9 147.51 22.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.281 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 tp -146.39 114.97 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.638 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.59 150.06 24.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.603 ' HZ2' HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -69.11 -30.13 68.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.157 179.559 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.488 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.86 -43.15 80.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.464 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -80.12 -28.29 38.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.986 0.422 . . . . 0.0 110.31 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.658 HD13 ' C ' ' B' ' 33' ' ' LEU . 1.9 tm? -62.37 -55.97 22.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.554 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -52.27 -38.86 59.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.799 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -78.81 -27.4 44.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.794 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.615 HD13 ' CD2' ' B' ' 18' ' ' HIS . 20.5 tp -66.29 -56.04 13.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.691 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.712 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -52.48 -50.2 63.19 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.403 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.712 ' N ' HD12 ' B' ' 37' ' ' LEU . 13.6 pt20 -65.88 -25.64 67.27 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.084 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 55.2 m -73.83 -38.42 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.016 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.433 ' HB3' HD12 ' A' ' 4' ' ' LEU . 69.4 mm-40 -93.52 -26.58 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.299 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.28 44.98 2.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.865 0.364 . . . . 0.0 110.51 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -68.28 -27.5 66.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.999 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.19 -52.34 4.91 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.43 ' C ' ' H ' ' B' ' 46' ' ' ASP . 12.6 m-85 -45.9 -64.55 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.65 0.262 . . . . 0.0 110.944 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.89 -9.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.049 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' B' ' 44' ' ' PHE . 16.4 t70 -105.84 -16.18 14.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.675 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.29 -2.88 21.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.512 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.9 pp0? -99.63 134.38 42.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.745 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -98.36 -3.2 37.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.473 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.512 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 83.8 m-20 -71.81 104.35 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.581 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 57.1 t -80.45 -27.94 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.57 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -72.81 -39.27 66.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.21 -51.41 69.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.584 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.0 p -66.11 -31.85 55.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.788 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -62.3 -40.85 97.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.722 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -72.53 -37.11 68.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.061 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 91.3 t -77.55 -47.97 25.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.173 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.659 ' SD ' ' N ' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -60.15 -44.2 95.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.004 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.659 ' N ' ' SD ' ' B' ' 58' ' ' MET . 23.6 pttt -68.78 -33.29 73.62 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.493 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -52.86 -28.46 23.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.365 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 65.8 mt -67.94 -38.45 82.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.71 -32.14 70.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.698 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -80.05 -37.4 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.553 ' C ' ' H ' ' B' ' 66' ' ' ASP . 16.6 m-20 -87.45 24.17 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.778 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -58.73 4.62 0.09 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.553 ' H ' ' C ' ' B' ' 64' ' ' ASN . 50.6 m-20 -34.91 -35.4 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.892 0.377 . . . . 0.0 110.511 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 121.18 -4.45 11.27 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -173.55 136.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 0.0 111.418 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.603 HG13 ' HZ2' ' B' ' 30' ' ' LYS . 10.4 m -92.17 -172.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.52 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -126.53 154.41 43.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.197 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -49.16 -53.1 22.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.963 0.411 . . . . 0.0 110.646 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -56.29 -33.57 65.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.486 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -76.13 -30.79 58.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.641 ' O ' HG13 ' B' ' 78' ' ' VAL . 27.1 t80 -68.99 -40.55 78.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 31.7 m -75.16 -28.54 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.097 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.82 -39.74 31.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.418 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.7 pp -78.06 -35.24 49.79 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.046 -0.662 . . . . 0.0 111.945 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.641 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.5 m -61.13 -41.91 91.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.281 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.474 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -70.59 -37.36 73.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.519 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.72 -31.27 25.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 85.4 mt -75.53 -36.91 60.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.559 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.4 m -65.77 -55.28 18.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.76 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' B' ' 85' ' ' CYS . 12.4 p -54.29 -34.94 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.12 23.69 0.18 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.451 ' H ' ' C ' ' B' ' 83' ' ' VAL . 22.4 t -137.11 -65.29 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.529 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -53.72 -28.46 34.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -45.48 -28.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.578 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -51.69 -36.43 46.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -60.14 -43.05 96.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -86.13 133.91 33.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.527 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -142.84 -160.29 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.457 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 57.79 42.88 22.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.556 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.718 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -87.35 159.7 18.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.671 0.272 . . . . 0.0 110.628 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -64.19 -29.21 70.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.625 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -64.35 -48.84 74.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.347 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.62 -31.33 69.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.386 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.1 m -68.96 -35.74 77.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.665 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.21 73.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.527 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.2 mmm -68.07 -40.47 82.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.509 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.89 -34.78 60.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.642 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.6 m -59.18 -43.09 92.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.704 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.602 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -61.53 -31.51 71.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.7 mm -69.67 -39.82 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.807 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -60.08 -55.38 34.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.706 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.3 p -63.08 -41.57 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.812 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.487 ' N ' HG13 ' A' ' 14' ' ' VAL . 83.4 t80 -55.79 -41.74 74.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.569 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -82.16 -22.18 36.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.566 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.04 -35.73 78.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.729 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.675 ' CD2' HD13 ' A' ' 36' ' ' LEU . 57.6 m-70 -91.98 -7.37 49.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.576 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -76.92 -4.1 42.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.485 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.33 -9.79 66.66 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -68.2 -70.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.734 0.302 . . . . 0.0 110.51 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -115.95 -15.61 11.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.459 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.69 -153.85 19.77 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -138.21 -63.06 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.511 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.515 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 13.0 ptmt -154.8 33.63 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.615 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER 171.53 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.099 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 8.9 mtmp? -63.98 147.16 52.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.495 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.402 HD12 ' H ' ' A' ' 29' ' ' SER . 31.0 tp -147.08 129.84 16.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.502 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.402 ' H ' HD12 ' A' ' 28' ' ' LEU . 17.6 m -74.26 148.9 41.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.051 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -69.04 -39.32 79.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.582 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.47 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.83 -38.8 73.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.582 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -80.17 -43.35 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.908 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.821 ' O ' HD23 ' A' ' 33' ' ' LEU . 2.9 tt -62.28 -33.51 74.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.772 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -51.89 -45.41 64.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.399 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' O ' ' OG1' ' A' ' 39' ' ' THR . 50.1 mt-10 -79.3 -27.39 42.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.378 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.675 HD13 ' CD2' ' A' ' 18' ' ' HIS . 47.3 tp -58.06 -55.64 32.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.937 -178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 38' ' ' GLN . 2.9 pp -50.59 -47.79 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.433 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.659 ' N ' HD12 ' A' ' 37' ' ' LEU . 17.2 pt20 -75.46 -25.68 57.63 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.189 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 44.4 m -64.82 -46.94 79.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.283 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -84.53 -26.9 27.73 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.428 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 41' ' ' LEU . 6.2 mp -116.23 43.95 2.07 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.792 0.33 . . . . 0.0 110.577 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.2 p -68.46 -27.23 65.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.22 -50.71 9.74 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.424 ' C ' ' H ' ' A' ' 46' ' ' ASP . 13.2 m-85 -46.35 -65.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.631 0.253 . . . . 0.0 110.874 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.21 -8.51 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.78 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 44' ' ' PHE . 21.9 t0 -105.65 -14.36 15.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.67 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.31 -2.99 21.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.735 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.474 ' OE1' ' O ' ' A' ' 50' ' ' ASP . 5.3 pp0? -102.85 138.73 39.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.893 0.378 . . . . 0.0 110.658 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -95.84 -4.14 44.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.598 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.474 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 72.3 m-20 -75.46 92.71 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.585 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.435 ' O ' ' CG ' ' A' ' 55' ' ' ASP . 76.0 t -73.79 -32.59 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.662 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -72.56 -36.41 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.75 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.26 -50.09 64.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.7 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.11 -34.73 65.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.404 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 51' ' ' VAL . 56.1 m-20 -57.02 -42.87 81.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.488 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -64.81 -39.29 93.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.539 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.439 HG11 HD21 ' A' ' 81' ' ' LEU . 78.4 t -73.82 -30.67 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.59 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.4 ttt -72.61 -51.49 19.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.386 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.0 -31.5 72.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.495 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.31 -28.64 29.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.258 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.73 -36.95 76.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -68.5 -28.52 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -75.47 -40.79 56.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.53 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -89.3 49.36 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.711 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . -83.31 8.02 65.85 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' GLY . 9.9 t70 -36.49 -35.03 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.887 0.375 . . . . 0.0 110.477 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 120.25 -14.56 10.19 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -151.12 132.36 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.975 0.417 . . . . 0.0 110.556 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.584 HG21 HD13 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -92.52 -154.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.051 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.446 ' H ' HG12 ' A' ' 69' ' ' VAL . 59.1 t0 -147.28 138.27 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.933 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -48.52 -49.27 36.79 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.596 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -52.68 -35.97 56.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 110.407 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -75.84 -30.69 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.593 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.679 ' O ' HG13 ' A' ' 78' ' ' VAL . 21.1 t80 -64.9 -40.76 95.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.889 0.376 . . . . 0.0 110.794 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.61 -30.09 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.71 -39.1 31.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.7 pp -78.17 -34.99 49.3 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.856 -178.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.8 m -61.2 -41.69 90.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.474 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.458 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -72.17 -39.11 68.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.74 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.14 -28.98 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.439 HD21 HG11 ' A' ' 57' ' ' VAL . 79.2 mt -75.25 -33.73 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.5 m -69.56 -55.62 9.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.758 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 p -57.93 -26.17 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.579 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.58 7.35 5.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.656 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t -127.38 -53.63 1.37 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.516 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -52.05 -30.95 27.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.584 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.475 ' O ' ' O ' ' A' ' 90' ' ' TRP . 53.3 t30 -55.35 -11.65 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.634 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -68.63 -54.58 15.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.775 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -46.56 -43.72 17.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.647 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.475 ' O ' ' O ' ' A' ' 87' ' ' ASN . 58.1 m95 -95.95 140.53 30.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -145.1 115.49 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.665 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -79.21 171.34 15.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.505 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p -87.3 159.78 18.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.654 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -64.29 -29.28 70.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.494 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.575 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -64.39 -48.72 74.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.417 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.74 -31.07 68.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.484 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 57.9 m -69.08 -35.72 76.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.638 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.35 -42.18 73.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 69.7 mmm -68.07 -40.56 82.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.575 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.71 -34.93 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.651 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.4 m -59.07 -43.1 91.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.761 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.613 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.7 mm? -61.57 -31.5 71.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.435 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.0 mm -69.69 -39.88 78.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.709 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -60.01 -55.4 34.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.482 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.3 p -63.11 -41.63 93.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.482 ' N ' HG13 ' B' ' 14' ' ' VAL . 83.5 t80 -55.71 -41.85 74.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -81.99 -22.25 36.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.62 78.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.766 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.675 ' CD2' HD13 ' B' ' 36' ' ' LEU . 58.2 m-70 -91.99 -7.35 49.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.696 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.9 m -76.91 -4.12 42.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.45 -9.66 66.59 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -68.2 -70.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.32 . . . . 0.0 110.462 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -115.87 -15.67 11.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.69 -153.89 19.85 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -138.18 -63.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 0.0 110.555 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.508 ' O ' ' CD2' ' B' ' 26' ' ' TYR . 12.9 ptmt -154.91 33.45 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.683 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' B' ' 25' ' ' LYS . 0.5 OUTLIER 171.64 -48.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.237 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.421 ' NZ ' ' CB ' ' B' ' 27' ' ' LYS . 8.9 mtmp? -64.01 147.08 52.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.47 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.7 tp -146.97 129.66 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.625 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 17.8 m -74.21 148.92 41.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.093 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -69.12 -39.23 79.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.563 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.476 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.98 -38.63 73.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.595 -179.571 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -80.27 -43.33 21.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.806 ' O ' HD23 ' B' ' 33' ' ' LEU . 2.9 tt -62.22 -33.71 75.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.892 0.377 . . . . 0.0 110.785 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -51.79 -45.46 63.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.404 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' B' ' 39' ' ' THR . 50.1 mt-10 -79.35 -27.24 42.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.326 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.675 HD13 ' CD2' ' B' ' 18' ' ' HIS . 47.3 tp -58.1 -55.91 28.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.781 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.655 HD12 ' N ' ' B' ' 38' ' ' GLN . 2.9 pp -50.47 -47.82 56.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.403 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.655 ' N ' HD12 ' B' ' 37' ' ' LEU . 17.2 pt20 -75.45 -25.64 57.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.782 0.325 . . . . 0.0 111.177 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 44.7 m -64.92 -46.86 79.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.25 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -84.73 -26.85 27.37 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.348 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.32 44.11 2.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.868 0.366 . . . . 0.0 110.648 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.3 p -68.59 -27.31 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.619 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.23 -50.63 9.89 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.437 ' C ' ' H ' ' B' ' 46' ' ' ASP . 13.1 m-85 -46.4 -65.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.618 0.247 . . . . 0.0 110.74 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.32 -8.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.764 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' B' ' 44' ' ' PHE . 21.9 t0 -105.64 -14.38 15.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.671 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.33 -2.92 21.73 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.679 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.469 ' OE1' ' O ' ' B' ' 50' ' ' ASP . 5.3 pp0? -102.96 138.64 39.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -95.81 -4.07 44.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.659 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.469 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 71.9 m-20 -75.44 92.64 2.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.521 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.444 ' O ' ' CG ' ' B' ' 55' ' ' ASP . 75.3 t -73.96 -32.37 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.627 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -72.71 -36.43 67.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.667 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -50.05 65.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -69.17 -34.7 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.435 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' B' ' 51' ' ' VAL . 56.2 m-20 -56.87 -42.94 80.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.529 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -64.81 -39.28 93.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.445 HG11 HD21 ' B' ' 81' ' ' LEU . 79.4 t -73.87 -30.51 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.689 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.5 ttt -72.56 -51.48 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.409 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -65.07 -31.51 72.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.444 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.36 -28.51 29.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.287 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.9 -36.95 75.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.768 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -68.49 -28.49 67.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.579 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -75.45 -40.77 57.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.575 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -89.33 49.46 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.576 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' B' ' 66' ' ' ASP . . . -83.37 8.0 66.15 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' B' ' 65' ' ' GLY . 9.9 t70 -36.57 -34.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.771 0.32 . . . . 0.0 110.424 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 120.25 -14.43 10.2 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -151.2 132.36 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.968 0.413 . . . . 0.0 110.473 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.581 HG21 HD13 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -93.32 -154.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.837 -179.715 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.438 ' H ' HG12 ' B' ' 69' ' ' VAL . 59.2 t0 -147.28 138.47 23.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.932 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -48.58 -49.24 37.5 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.563 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -52.83 -35.89 57.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 110.351 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -75.88 -30.76 58.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.629 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.658 ' O ' HG13 ' B' ' 78' ' ' VAL . 21.4 t80 -64.8 -40.78 95.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.816 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.6 -30.08 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.71 -39.05 31.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.402 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.7 pp -78.17 -34.92 49.38 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.039 -0.664 . . . . 0.0 111.922 -178.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.658 HG13 ' O ' ' B' ' 74' ' ' TYR . 28.2 m -61.24 -41.77 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.349 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.465 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -72.09 -39.13 69.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.753 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.23 -28.91 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.505 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.445 HD21 HG11 ' B' ' 57' ' ' VAL . 78.3 mt -75.31 -33.5 61.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.71 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.1 m -69.68 -55.62 9.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 p -57.92 -26.16 27.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.612 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.49 7.19 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.633 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t -127.31 -53.69 1.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.522 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -52.17 -30.88 28.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' B' ' 90' ' ' TRP . 53.1 t30 -55.41 -11.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.756 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -68.74 -54.49 15.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.702 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -46.8 -43.52 18.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.546 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.482 ' O ' ' O ' ' B' ' 87' ' ' ASN . 58.0 m95 -96.05 140.39 30.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -145.12 115.52 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.465 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -79.16 171.39 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.518 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.503 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -72.81 156.69 38.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.568 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.492 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 56.7 mp0 -57.6 -39.37 76.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.528 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -60.48 -48.46 81.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.238 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.92 -32.23 73.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.232 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.2 m -69.42 -34.94 75.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.703 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.34 -46.57 76.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.546 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.2 mmm -67.1 -36.83 82.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.441 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -56.54 -34.03 66.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.627 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.0 m -60.79 -43.23 98.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.684 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.589 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -58.88 -31.39 68.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.474 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.8 mm -70.24 -41.94 78.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.803 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -59.87 -55.45 34.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.04 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 15' ' ' PHE . 12.5 p -62.1 -39.95 85.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.671 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.473 ' N ' HG13 ' A' ' 14' ' ' VAL . 72.3 t80 -57.41 -42.14 81.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.58 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -79.1 -18.29 53.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.657 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.7 71.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.421 ' CD2' HD13 ' A' ' 36' ' ' LEU . 20.8 m-70 -89.66 -10.4 45.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.781 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.6 m -76.12 -2.21 29.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.541 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.56 3.88 68.89 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -75.52 -81.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.61 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 23' ' ' GLY . 18.0 mt-10 -102.67 -51.62 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.52 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.49 ' O ' ' OD1' ' A' ' 24' ' ' ASP . . . -57.47 -129.57 0.01 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 23' ' ' GLY . 77.7 m-20 -150.8 -99.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.559 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -97.16 -74.12 0.58 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.632 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -93.42 24.91 3.67 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.404 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HB2' ' H ' ' A' ' 24' ' ' ASP . 42.8 mtmt -118.74 127.94 54.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.448 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' N ' ' OE2' ' A' ' 68' ' ' GLU . 36.1 tp -136.37 123.01 21.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -75.24 147.01 40.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.949 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.537 ' NZ ' ' OD1' ' A' ' 64' ' ' ASN . 39.3 tptt -67.93 -29.91 69.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.379 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -56.78 -44.94 82.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.907 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -80.43 -28.58 37.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.815 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.7 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.0 tm? -55.14 -49.67 71.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.596 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -51.21 -35.4 36.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.647 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 39' ' ' THR . 70.2 mm-40 -79.36 -27.56 41.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 18' ' ' HIS . 19.7 tp -65.33 -56.36 13.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.565 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -51.11 -49.44 60.75 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.19 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 37' ' ' LEU . 7.2 pt20 -69.07 -25.65 64.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.961 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 21.4 m -71.31 -45.13 63.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.212 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -88.44 -27.21 21.68 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.386 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.98 47.27 1.85 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.252 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 p -67.74 -39.43 84.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.593 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.67 -33.04 17.1 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -54.59 30.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.707 0.289 . . . . 0.0 110.24 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.17 -8.87 49.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 33.1 t0 -94.43 -13.68 25.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.9 -1.62 48.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.781 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.583 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -104.74 136.25 44.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.646 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -95.01 -6.1 43.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.589 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.583 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 69.7 m-20 -70.02 106.22 3.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.572 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 82.2 t -78.51 -30.26 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -72.39 -36.61 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.683 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -51.42 69.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.69 -34.23 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -56.67 -43.71 80.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.472 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.92 -37.52 87.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -76.6 -30.55 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.582 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.2 ttt -74.69 -49.99 19.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.318 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -63.97 -31.76 73.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.25 -35.75 60.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.577 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.21 -38.63 87.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.489 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -72.41 -28.49 63.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.613 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.5 -38.4 71.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.19 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.553 ' C ' ' H ' ' A' ' 66' ' ' ASP . 1.1 m-80 -65.51 -96.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.391 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . 70.08 -24.82 0.43 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.553 ' H ' ' C ' ' A' ' 64' ' ' ASN . 54.5 t0 -37.56 -32.49 0.05 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.972 0.415 . . . . 0.0 110.161 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 101.24 -9.91 57.93 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.491 ' OE2' ' N ' ' A' ' 28' ' ' LEU . 30.3 tp10 -143.06 132.51 23.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.172 0.511 . . . . 0.0 110.46 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.559 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.4 OUTLIER -92.59 -154.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.211 -179.659 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.559 ' H ' HG12 ' A' ' 69' ' ' VAL . 11.5 t70 -152.08 140.03 20.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.97 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -48.68 -52.93 20.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.951 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -58.37 -33.75 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.798 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.1 mm-40 -75.59 -30.89 59.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.465 ' CE1' HG11 ' A' ' 78' ' ' VAL . 8.9 t80 -69.02 -42.96 75.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.867 0.365 . . . . 0.0 110.92 -179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.01 -27.67 27.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -75.56 -37.44 37.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.248 -178.409 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.8 pp -76.2 -42.35 46.5 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.939 -0.704 . . . . 0.0 111.546 -179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.603 ' N ' HD12 ' A' ' 77' ' ' LEU . 19.1 m -59.36 -35.61 59.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.307 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.77 -40.65 69.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.557 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.84 -28.26 22.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.618 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.4 mt -72.52 -34.1 67.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.584 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.6 m -70.42 -54.16 13.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.5 -24.83 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.614 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.51 11.12 4.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.787 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.4 t -134.57 -49.92 0.78 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.649 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -52.18 -32.76 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.61 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.487 ' O ' ' O ' ' A' ' 90' ' ' TRP . 7.8 t-20 -63.24 -12.04 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.461 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -58.29 -40.58 82.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.683 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -70.22 -49.55 49.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.676 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.487 ' O ' ' O ' ' A' ' 87' ' ' ASN . 86.0 m95 -82.73 133.93 35.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.709 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 90' ' ' TRP . 94.6 mt-10 36.81 86.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.57 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -74.93 94.27 2.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.677 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.2 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.908 -1.044 . . . . 0.0 110.525 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -72.85 156.65 38.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 110.56 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.48 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 56.7 mp0 -57.55 -39.48 76.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.626 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.4 OUTLIER -60.26 -48.6 81.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.242 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.04 -32.19 73.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.054 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.1 m -69.39 -34.97 75.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.715 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.47 -46.54 76.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.481 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 58.2 mmm -67.13 -36.65 82.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.473 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -56.71 -33.96 66.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.542 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 22.7 m -60.78 -43.18 98.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.77 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.593 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -58.98 -31.34 68.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.49 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.0 mm -70.31 -41.92 78.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.713 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -59.8 -55.63 31.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.871 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.456 HG13 ' N ' ' B' ' 15' ' ' PHE . 12.3 p -62.06 -39.72 84.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.829 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.456 ' N ' HG13 ' B' ' 14' ' ' VAL . 72.8 t80 -57.7 -42.06 82.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.449 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -79.11 -18.27 53.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.631 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.65 71.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.421 ' CD2' HD13 ' B' ' 36' ' ' LEU . 20.8 m-70 -89.66 -10.44 45.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.8 m -76.17 -2.16 29.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.397 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.47 3.95 69.26 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -75.61 -81.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 110.617 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' B' ' 23' ' ' GLY . 18.2 mt-10 -102.72 -51.58 3.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.481 ' O ' ' OD1' ' B' ' 24' ' ' ASP . . . -57.46 -129.33 0.01 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.481 ' OD1' ' O ' ' B' ' 23' ' ' GLY . 77.6 m-20 -150.97 -99.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.778 0.323 . . . . 0.0 110.549 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -97.08 -74.21 0.58 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.637 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -93.34 24.79 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.334 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.412 ' HB2' ' H ' ' B' ' 24' ' ' ASP . 42.8 mtmt -118.72 127.92 54.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.434 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.489 ' N ' ' OE2' ' B' ' 68' ' ' GLU . 36.1 tp -136.32 123.1 21.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.349 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.0 p -75.44 146.99 40.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.016 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.527 ' NZ ' ' OD1' ' B' ' 64' ' ' ASN . 39.2 tptt -67.88 -30.01 69.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.34 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -56.62 -45.06 81.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.919 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -80.49 -28.59 37.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.703 HD13 ' C ' ' B' ' 33' ' ' LEU . 3.0 tm? -54.99 -49.81 70.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.579 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -51.0 -35.53 34.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.688 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.446 ' O ' ' OG1' ' B' ' 39' ' ' THR . 70.1 mm-40 -79.44 -27.5 41.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' B' ' 18' ' ' HIS . 19.9 tp -65.24 -56.4 12.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.644 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.68 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.34 -49.28 61.72 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.181 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.68 ' N ' HD12 ' B' ' 37' ' ' LEU . 7.2 pt20 -69.0 -25.65 64.62 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.987 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 21.3 m -71.31 -45.07 63.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.252 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -88.58 -27.18 21.54 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.257 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.93 47.25 1.85 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.83 0.347 . . . . 0.0 110.203 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 p -67.76 -39.36 84.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.631 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.82 -32.96 16.82 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -54.49 32.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.253 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.44 -8.56 47.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.777 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 33.8 t0 -94.7 -13.71 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.588 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.01 -1.57 48.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.727 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.584 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 0.9 OUTLIER -104.65 136.18 44.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.86 0.362 . . . . 0.0 110.736 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -94.91 -6.11 43.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.584 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 69.6 m-20 -70.01 106.23 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.637 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 81.8 t -78.52 -30.24 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.493 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -72.38 -36.72 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.645 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.5 69.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.72 -34.25 68.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -56.66 -43.73 80.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.465 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.9 -37.55 87.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 62.1 t -76.49 -30.62 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.585 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.2 ttt -74.66 -49.96 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.354 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -63.96 -31.66 72.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.572 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.37 -35.71 60.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.58 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.27 -38.6 87.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.516 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -72.3 -28.69 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.583 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -71.47 -38.35 71.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.25 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.552 ' C ' ' H ' ' B' ' 66' ' ' ASP . 1.1 m-80 -65.4 -96.65 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.419 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . 70.11 -24.83 0.43 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.552 ' H ' ' C ' ' B' ' 64' ' ' ASN . 54.5 t0 -37.56 -32.47 0.05 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.906 0.384 . . . . 0.0 110.102 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 101.27 -10.69 58.24 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' B' ' 28' ' ' LEU . 30.0 tp10 -141.75 132.89 26.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.944 0.402 . . . . 0.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.554 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.5 OUTLIER -93.9 -154.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.001 -179.642 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.554 ' H ' HG12 ' B' ' 69' ' ' VAL . 11.6 t70 -151.96 140.2 20.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.918 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -48.6 -53.0 20.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.96 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -58.4 -33.73 69.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.425 ' O ' HG12 ' B' ' 76' ' ' VAL . 71.1 mm-40 -75.58 -30.91 59.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.011 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.453 ' CE1' HG11 ' B' ' 78' ' ' VAL . 8.9 t80 -69.18 -42.66 75.56 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.961 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -72.17 -27.64 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.425 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.7 OUTLIER -75.5 -37.38 37.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 120.411 -0.515 . . . . 0.0 112.354 -178.439 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.593 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.8 pp -76.24 -42.33 46.2 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.554 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.593 ' N ' HD12 ' B' ' 77' ' ' LEU . 19.0 m -59.37 -35.5 58.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.368 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.92 -40.59 68.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.91 -28.16 22.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.601 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.1 mt -72.52 -34.14 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.598 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.6 m -70.51 -54.12 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.792 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.56 -24.78 34.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.57 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.58 11.12 4.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.3 t -134.49 -49.86 0.78 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.603 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -52.38 -32.61 39.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.579 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.494 ' O ' ' O ' ' B' ' 90' ' ' TRP . 7.7 t-20 -63.18 -12.13 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.587 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -58.19 -40.75 82.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.551 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -70.18 -49.58 48.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.718 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.494 ' O ' ' O ' ' B' ' 87' ' ' ASN . 85.9 m95 -82.7 133.91 35.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.741 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' B' ' 90' ' ' TRP . 94.9 mt-10 36.75 86.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.513 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -74.86 94.33 2.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.53 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 74.7 p . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.597 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -72.58 149.32 44.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.686 0.279 . . . . 0.0 110.613 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.486 ' O ' ' OG1' ' A' ' 6' ' ' THR . 85.1 tt0 -56.25 -34.79 66.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.585 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.795 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.7 tm? -68.56 -47.58 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.222 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -61.92 -32.89 73.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 17.6 p -69.02 -36.91 78.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.654 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.43 72.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.421 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.0 mmm -69.27 -38.44 78.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.518 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.7 -35.1 60.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.7 m -60.36 -43.79 96.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.72 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -56.28 -31.21 63.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.583 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.2 mm -71.28 -44.5 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -60.29 -55.66 31.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.781 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.516 HG13 ' N ' ' A' ' 15' ' ' PHE . 13.2 p -62.36 -41.1 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.516 ' N ' HG13 ' A' ' 14' ' ' VAL . 81.2 t80 -59.76 -42.19 92.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.592 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' SER . 3.7 t-80 -73.23 -47.36 43.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.5 -38.71 6.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.807 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.579 ' CD2' HD13 ' A' ' 36' ' ' LEU . 60.6 m-70 -88.21 -11.92 45.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.738 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' HIS . 38.3 m -73.85 0.66 12.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.452 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.82 -13.05 83.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.58 ' O ' ' N ' ' A' ' 23' ' ' GLY . 26.1 mmtp -84.0 109.77 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.646 0.26 . . . . 0.0 110.512 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 23' ' ' GLY . 67.6 mm-40 59.93 -70.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.65 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 21' ' ' LYS . . . -35.52 158.08 0.01 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -82.99 -67.63 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.656 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -141.51 -63.68 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -91.62 5.89 47.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -103.37 136.35 43.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.527 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -140.16 120.95 14.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.182 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -57.46 144.9 34.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.298 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HD3' HG22 ' A' ' 69' ' ' VAL . 48.9 tptt -65.76 -35.94 82.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.125 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -57.28 -42.39 81.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.837 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -80.24 -28.68 38.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.74 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.1 tm? -62.92 -55.31 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.638 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -52.03 -34.65 44.09 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.628 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.42 -27.33 41.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' A' ' 18' ' ' HIS . 21.7 tp -65.22 -55.38 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.752 -179.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -50.72 -50.1 56.07 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.169 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.707 ' N ' HD12 ' A' ' 37' ' ' LEU . 12.8 pt20 -65.86 -25.66 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 110.793 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.8 m -75.26 -38.1 60.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.175 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -93.69 -27.32 16.61 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.508 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.4 HD22 HD12 ' A' ' 81' ' ' LEU . 7.0 mp -115.72 43.99 1.98 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 110.456 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.0 p -68.0 -27.25 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.754 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.48 -50.93 6.91 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' A' ' 46' ' ' ASP . 15.3 m-85 -48.77 -64.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.676 0.274 . . . . 0.0 110.813 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.46 -9.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.795 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 44' ' ' PHE . 56.1 t0 -105.47 -16.76 14.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.643 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.93 -2.84 28.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.609 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.562 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.8 pp0? -105.16 143.81 32.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.689 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -109.45 2.6 20.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.492 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.562 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 88.4 m-20 -73.33 106.07 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.744 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.4 t -73.47 -34.45 42.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.71 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -70.23 -37.2 74.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.48 -51.4 70.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.787 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.12 -33.04 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.608 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.1 -42.72 95.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.605 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -62.89 -38.22 90.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.685 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -77.21 -30.39 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.588 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.1 ttt -68.68 -50.94 47.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.241 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -66.37 -31.73 72.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.58 -31.3 46.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.602 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.47 -35.99 82.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -74.73 -27.81 60.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.76 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.14 -40.78 86.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.133 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -100.4 104.95 16.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.372 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -123.57 -4.54 8.12 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -41.84 -20.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.95 0.405 . . . . 0.0 110.372 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 99.65 -9.89 60.65 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -150.91 132.85 15.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.379 . . . . 0.0 110.635 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.472 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -92.41 -154.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.133 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.472 ' H ' HG12 ' A' ' 69' ' ' VAL . 18.8 t70 -142.96 148.24 36.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.216 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -50.5 -47.38 57.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -54.85 -33.51 61.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -75.49 -30.58 59.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.705 ' O ' HG13 ' A' ' 78' ' ' VAL . 29.4 t80 -69.39 -38.0 77.79 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.24 -179.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -75.58 -28.64 19.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.57 -40.36 33.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -78.58 -35.85 45.26 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.303 -0.559 . . . . 0.0 112.254 -178.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 74' ' ' TYR . 29.5 m -58.1 -40.17 75.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.498 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.444 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -73.89 -40.57 63.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.674 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.79 -29.06 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.677 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.4 HD12 HD22 ' A' ' 41' ' ' LEU . 95.2 mt -75.53 -35.87 60.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.691 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.8 m -66.25 -55.61 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.898 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -51.84 -25.52 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.26 28.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 t -146.81 -51.75 0.21 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.516 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -51.74 -31.82 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -44.43 -26.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.534 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -44.55 -45.08 9.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.517 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -61.44 -48.53 80.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.435 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -97.54 95.37 7.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.49 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -85.58 159.7 19.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.592 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.3 m-20 -63.69 168.98 4.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.632 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.1 -0.952 . . . . 0.0 110.561 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.739 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -72.58 149.36 44.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.471 ' O ' ' OG1' ' B' ' 6' ' ' THR . 85.1 tt0 -56.15 -34.9 66.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.794 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.7 tm? -68.5 -47.44 67.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -61.94 -33.0 73.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.515 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 17.8 p -69.01 -36.76 78.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.7 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.59 -41.33 73.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 49.0 mmm -69.36 -38.48 78.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.477 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.69 -35.0 60.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.557 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.9 m -60.4 -43.81 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.537 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.7 mm? -56.24 -31.42 63.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.485 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 10.0 mm -71.12 -44.53 74.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -60.32 -55.65 31.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.506 HG13 ' N ' ' B' ' 15' ' ' PHE . 13.0 p -62.19 -41.38 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.574 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.506 ' N ' HG13 ' B' ' 14' ' ' VAL . 81.1 t80 -59.63 -42.13 92.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' B' ' 19' ' ' SER . 3.8 t-80 -73.34 -47.35 43.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.45 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.57 -38.69 6.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.779 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.575 ' CD2' HD13 ' B' ' 36' ' ' LEU . 60.5 m-70 -88.14 -11.86 45.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.705 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.432 ' N ' ' O ' ' B' ' 16' ' ' HIS . 38.5 m -73.9 0.66 12.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.489 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.88 -13.04 83.83 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.573 ' O ' ' N ' ' B' ' 23' ' ' GLY . 26.1 mmtp -83.89 109.71 17.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.481 ' O ' ' O ' ' B' ' 23' ' ' GLY . 67.8 mm-40 59.95 -70.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.623 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' B' ' 21' ' ' LYS . . . -35.54 158.14 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -83.02 -67.55 0.78 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.748 0.309 . . . . 0.0 110.752 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -141.51 -63.52 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.482 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -91.75 5.82 48.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.468 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -103.17 136.47 42.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.553 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -140.23 120.73 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.276 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -57.2 144.94 33.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.307 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.41 ' HD3' HG22 ' B' ' 69' ' ' VAL . 48.9 tptt -65.84 -36.03 82.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.054 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -57.35 -42.24 81.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.869 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -80.36 -28.53 38.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.038 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.746 HD13 ' C ' ' B' ' 33' ' ' LEU . 3.1 tm? -63.02 -55.15 28.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.686 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -52.13 -34.75 45.84 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.565 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.45 ' O ' ' OG1' ' B' ' 39' ' ' THR . 43.8 mt-10 -79.25 -27.4 42.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.575 HD13 ' CD2' ' B' ' 18' ' ' HIS . 22.0 tp -65.1 -55.39 19.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.839 -179.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.72 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -50.84 -50.03 57.52 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.147 -178.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.72 ' N ' HD12 ' B' ' 37' ' ' LEU . 12.8 pt20 -65.88 -25.58 67.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.819 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 96.8 m -75.3 -38.06 60.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.235 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -93.87 -27.22 16.54 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.425 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -115.81 44.0 1.99 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.741 0.305 . . . . 0.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.1 p -67.97 -27.3 66.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.807 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.5 -50.89 6.94 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.431 ' C ' ' H ' ' B' ' 46' ' ' ASP . 15.6 m-85 -48.82 -64.69 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.756 -0.261 . . . . 0.0 110.931 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.6 -9.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.766 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' B' ' 44' ' ' PHE . 56.1 t0 -105.51 -16.71 14.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.604 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.9 -2.78 29.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.707 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.566 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.8 pp0? -105.27 143.81 32.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.621 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -109.41 2.54 20.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.497 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.566 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 88.4 m-20 -73.27 106.04 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.689 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 94.9 t -73.44 -34.48 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.751 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -70.28 -37.25 74.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.713 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.39 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.722 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.08 -33.11 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.08 -42.73 95.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.575 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -62.96 -38.23 90.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -77.14 -30.57 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.2 ttt -68.58 -50.98 47.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.259 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -66.39 -31.53 72.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.476 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.57 -31.58 47.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.489 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 17.1 mt -64.33 -35.99 82.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.481 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.8 -27.72 60.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.738 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.21 -40.73 86.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.216 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -100.42 105.0 16.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.353 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -123.54 -4.61 8.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -41.65 -20.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.995 0.426 . . . . 0.0 110.385 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 99.59 -9.63 60.64 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -150.97 133.15 15.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.93 0.395 . . . . 0.0 110.611 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.468 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.3 OUTLIER -93.6 -154.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.806 -179.547 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.468 ' H ' HG12 ' B' ' 69' ' ' VAL . 18.8 t70 -143.0 148.3 36.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.216 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.4 ' CE2' ' HB1' ' A' ' 79' ' ' ALA . 43.0 t80 -50.59 -47.25 58.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.854 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -54.96 -33.5 62.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.777 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -75.58 -30.58 59.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.157 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.696 ' O ' HG13 ' B' ' 78' ' ' VAL . 29.8 t80 -69.27 -38.02 78.18 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.396 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.56 -28.58 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -40.35 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.422 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -78.62 -35.97 44.8 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.319 -0.552 . . . . 0.0 112.134 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.696 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.4 m -58.07 -40.16 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.49 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.437 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -73.89 -40.49 63.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.751 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.97 -28.88 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.606 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -75.56 -35.8 60.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.784 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.1 m -66.36 -55.56 15.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.772 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -52.03 -25.4 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.571 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.36 28.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.645 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.8 t -146.89 -51.6 0.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -51.67 -31.94 27.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.515 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -44.46 -26.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.589 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -44.46 -45.1 8.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.648 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -61.49 -48.43 81.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.521 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -97.56 95.37 7.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.461 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -85.64 159.67 19.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -63.62 168.99 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.537 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.219 -0.546 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.54 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.749 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 m -65.83 152.52 44.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 110.597 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -70.49 -32.0 69.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.636 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.582 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -61.72 -48.69 79.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.422 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.08 -31.23 67.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.38 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.9 m -68.97 -35.25 76.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.61 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.16 76.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.623 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.5 mmm -68.83 -33.36 73.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -58.16 -35.64 71.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.705 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.6 m -59.8 -38.24 81.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.607 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.6 mm? -64.78 -31.29 72.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.632 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.435 HG21 HD21 ' B' ' 86' ' ' ASN . 11.0 mm -71.01 -42.22 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.782 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -59.96 -55.44 33.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.3 p -62.85 -41.82 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.713 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.492 ' N ' HG13 ' A' ' 14' ' ' VAL . 94.0 t80 -59.47 -42.21 91.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.554 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -77.0 -24.73 52.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.606 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.04 96.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.479 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.628 ' NE2' HD13 ' A' ' 36' ' ' LEU . 56.7 m-70 -86.65 -12.93 47.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.366 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.5 m -65.8 -27.48 68.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.444 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.06 -10.66 78.29 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -61.86 -73.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.629 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -121.03 -35.97 3.22 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.84 171.63 4.51 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' A' ' 26' ' ' TYR . 81.2 m-20 -90.8 67.63 6.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.601 0.238 . . . . 0.0 110.625 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mttm 68.29 -44.67 0.51 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.039 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.428 ' H ' ' C ' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -100.17 -50.1 4.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.704 0.288 . . . . 0.0 110.485 -179.698 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HB2' ' H ' ' A' ' 24' ' ' ASP . 39.7 mtmt -61.91 170.51 2.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.55 HD23 HD12 ' A' ' 33' ' ' LEU . 26.8 tp -155.19 126.22 7.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.19 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.7 p -68.69 150.33 48.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.392 . . . . 0.0 111.221 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -65.99 -36.15 82.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.293 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.02 -39.35 74.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.739 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -81.63 -40.01 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.564 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.55 HD12 HD23 ' A' ' 28' ' ' LEU . 6.9 tt -64.6 -43.5 93.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.844 -178.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -52.13 -40.46 61.37 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.855 -179.329 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 94.4 mt-10 -79.9 -27.25 39.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.173 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.628 HD13 ' NE2' ' A' ' 18' ' ' HIS . 35.7 tp -63.97 -50.86 66.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.879 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.1 pp -50.63 -44.78 57.38 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.248 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.537 ' N ' HD12 ' A' ' 37' ' ' LEU . 12.4 pt20 -77.12 -25.46 52.13 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.987 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.1 m -66.76 -43.53 83.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.59 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -88.06 -26.82 22.35 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.509 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.61 44.97 1.91 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.732 0.301 . . . . 0.0 110.515 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -68.68 -28.07 66.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.37 -46.38 26.55 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.439 -0.664 . . . . 0.0 111.439 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.507 ' CZ ' HG23 ' A' ' 82' ' ' THR . 10.2 m-85 -53.29 -62.68 1.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.812 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -56.7 -9.09 0.68 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.8 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -103.22 -11.34 18.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.525 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.0 -2.5 15.06 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.965 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.7 pp0? -97.84 135.72 39.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.706 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -98.59 -15.28 19.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.503 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.517 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 85.9 m-20 -61.85 105.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.646 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.443 ' O ' ' CG ' ' A' ' 55' ' ' ASP . 78.9 t -78.89 -31.84 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.648 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -72.51 -33.36 66.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.705 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.72 -47.74 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.6 p -72.28 -32.13 41.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.667 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 51' ' ' VAL . 87.5 m-20 -57.48 -49.54 75.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.548 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -64.21 -33.86 76.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.673 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -76.96 -30.57 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.0 ttp -69.69 -51.54 33.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.455 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -64.12 -32.26 73.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.488 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.413 ' C ' ' OE1' ' A' ' 60' ' ' GLU . 13.7 tm-20 -53.53 -34.86 59.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.7 mt -71.12 -28.95 64.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.95 -49.83 41.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.112 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -65.27 -36.86 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.772 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -86.86 37.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.532 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.87 17.59 49.58 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.77 -42.15 34.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.547 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.27 -16.47 4.39 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -146.8 131.57 17.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.334 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.548 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.3 OUTLIER -93.31 -154.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.484 0.659 . . . . 0.0 111.383 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.548 ' H ' HG12 ' A' ' 69' ' ' VAL . 56.7 t0 -146.56 132.8 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.378 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -47.98 -46.38 32.49 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.392 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -52.35 -37.26 55.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.047 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.66 -30.45 59.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.565 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.699 ' O ' HG13 ' A' ' 78' ' ' VAL . 57.4 t80 -63.64 -40.64 97.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.1 m -75.51 -30.57 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -39.43 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.19 -34.37 49.54 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.91 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.2 m -62.78 -40.99 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.239 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.467 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -72.65 -39.91 66.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.25 -28.9 2.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.683 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.3 mt -75.17 -37.47 61.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.646 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.507 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 98.9 m -67.62 -55.37 13.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.772 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.0 p -57.77 -18.13 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.625 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.97 29.96 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.625 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 t -149.38 -50.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.421 HD21 HG21 ' B' ' 12' ' ' ILE . 38.7 m-20 -51.77 -34.5 39.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.69 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -47.95 -22.19 0.55 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.7 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -54.91 -47.51 74.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -56.25 -66.66 0.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -77.96 88.66 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.65 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -152.7 129.76 11.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -153.84 112.07 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.626 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.518 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.6 m -65.87 152.71 43.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.762 0.315 . . . . 0.0 110.521 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -70.7 -31.92 68.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.532 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.593 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -61.91 -48.5 80.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.33 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.31 -31.13 67.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.303 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.3 m -68.97 -35.3 76.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.629 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.13 75.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.65 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 66.6 mmm -68.82 -33.44 73.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.485 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -58.05 -35.77 71.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.745 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.2 m -59.79 -38.02 80.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.998 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.619 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.6 mm? -64.85 -31.3 72.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.635 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.421 HG21 HD21 ' A' ' 86' ' ' ASN . 10.8 mm -70.95 -42.26 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.799 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -60.01 -55.44 34.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.494 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.1 p -62.9 -41.84 94.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.624 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.494 ' N ' HG13 ' B' ' 14' ' ' VAL . 94.0 t80 -59.38 -42.19 91.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.616 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -77.02 -24.73 52.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.18 96.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.623 ' NE2' HD13 ' B' ' 36' ' ' LEU . 57.1 m-70 -86.54 -12.97 47.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.451 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.0 m -65.66 -27.64 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.501 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.93 -10.65 77.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -62.0 -73.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.764 0.316 . . . . 0.0 110.627 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -121.09 -35.99 3.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.488 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.73 171.59 4.41 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -90.91 67.64 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.589 0.233 . . . . 0.0 110.566 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 mttm 68.25 -44.49 0.5 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.963 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -100.2 -50.16 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.531 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -61.9 170.61 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.546 HD23 HD12 ' B' ' 33' ' ' LEU . 27.4 tp -155.3 126.1 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.275 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 85.3 p -68.65 150.49 47.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.401 ' HZ3' ' HB3' ' B' ' 64' ' ' ASN . 44.4 tptt -66.08 -36.1 82.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.263 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.483 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.12 -39.25 74.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.84 -179.767 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -81.55 -40.13 23.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.644 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.546 HD12 HD23 ' B' ' 28' ' ' LEU . 6.9 tt -64.47 -43.44 94.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.908 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.439 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 0.2 OUTLIER -52.14 -40.44 61.38 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.908 -179.325 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 94.4 mt-10 -79.9 -27.38 39.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.193 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.623 HD13 ' NE2' ' B' ' 18' ' ' HIS . 35.1 tp -63.95 -50.77 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.875 -178.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.532 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.1 pp -50.69 -44.78 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.247 -179.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.532 ' N ' HD12 ' B' ' 37' ' ' LEU . 12.4 pt20 -76.81 -25.73 53.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.794 0.33 . . . . 0.0 111.084 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.7 m -66.68 -43.64 83.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.586 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -87.97 -26.87 22.44 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.504 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.62 44.93 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.473 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 1.1 m -68.5 -28.27 66.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.28 -46.47 26.69 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.51 ' CZ ' HG23 ' B' ' 82' ' ' THR . 10.3 m-85 -53.22 -62.67 1.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.666 0.269 . . . . 0.0 110.873 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -56.78 -9.01 0.68 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.747 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.403 ' OD2' ' O ' ' B' ' 42' ' ' SER . 58.3 m-20 -103.32 -11.3 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.543 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.09 -2.63 14.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.864 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.515 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.7 pp0? -97.81 135.63 39.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.648 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -98.59 -15.26 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.486 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.515 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 86.1 m-20 -61.8 105.16 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' VAL . . . . . 0.442 ' O ' ' CG ' ' B' ' 55' ' ' ASP . 79.4 t -78.81 -31.86 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.668 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -72.59 -33.32 66.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.66 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.6 -47.8 77.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.7 p -72.24 -32.09 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.696 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' B' ' 51' ' ' VAL . 87.2 m-20 -57.46 -49.52 75.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.559 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -64.2 -33.95 76.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.587 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.5 t -76.94 -30.6 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.708 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.1 ttp -69.69 -51.42 34.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.478 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -64.16 -32.29 73.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.491 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.421 ' OE1' ' C ' ' B' ' 60' ' ' GLU . 13.7 tm-20 -53.51 -34.85 59.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 25.3 mt -71.17 -28.9 64.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.91 -50.02 39.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.094 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -65.2 -36.82 85.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.837 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.401 ' HB3' ' HZ3' ' B' ' 30' ' ' LYS . 10.4 m120 -86.81 37.87 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.563 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.81 17.6 49.2 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.85 -41.93 34.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.743 0.306 . . . . 0.0 110.51 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.12 -16.33 4.44 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -146.69 131.88 18.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.763 0.316 . . . . 0.0 110.312 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.547 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.4 OUTLIER -95.19 -153.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.174 0.511 . . . . 0.0 111.056 -179.676 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.547 ' H ' HG12 ' B' ' 69' ' ' VAL . 56.4 t0 -146.4 132.97 19.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.43 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.405 ' CZ ' ' CD1' ' B' ' 12' ' ' ILE . 34.8 t80 -47.92 -46.5 32.05 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.5 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -52.3 -37.21 55.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.092 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.76 -30.54 59.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.471 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.697 ' O ' HG13 ' B' ' 78' ' ' VAL . 57.9 t80 -63.63 -40.58 97.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.412 HG22 ' H ' ' B' ' 75' ' ' VAL . 31.0 m -75.54 -30.52 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -39.44 32.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.24 -34.3 49.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.908 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.697 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.1 m -62.66 -41.03 90.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.274 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.472 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -72.76 -39.91 66.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.808 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.23 -28.87 2.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.661 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.1 mt -75.19 -37.45 61.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.705 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.51 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 99.2 m -67.68 -55.35 13.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.706 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 9.1 p -57.91 -18.04 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.608 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.95 30.01 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 34.8 t -149.48 -50.43 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.435 HD21 HG21 ' A' ' 12' ' ' ILE . 38.6 m-20 -51.89 -34.5 41.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.627 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -47.84 -22.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.723 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -54.99 -47.52 74.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.748 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -56.09 -66.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.751 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -77.94 88.71 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -152.75 129.8 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.474 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -153.94 112.19 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.475 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.538 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -70.25 161.18 30.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.803 0.335 . . . . 0.0 110.509 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' A' ' 6' ' ' THR . 93.1 mt-10 -57.46 -33.81 68.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.645 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.784 HD13 ' C ' ' A' ' 4' ' ' LEU . 3.0 tm? -67.95 -48.68 65.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.088 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.76 -37.74 76.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.7 p -64.3 -35.13 79.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.534 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.49 -41.49 73.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.44 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.3 mmm -69.37 -36.87 77.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.396 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -57.21 -33.65 67.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.1 m -60.63 -42.47 96.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.616 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.598 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -59.21 -31.5 69.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.534 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.9 mm -70.87 -44.28 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -59.97 -55.58 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 15' ' ' PHE . 12.0 p -60.22 -36.74 70.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.615 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.42 ' N ' HG13 ' A' ' 14' ' ' VAL . 43.0 t80 -60.85 -42.85 98.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -84.64 -18.64 34.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.714 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.93 73.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.444 ' CD2' HD13 ' A' ' 36' ' ' LEU . 66.6 m-70 -93.38 -11.57 31.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.918 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 54.1 m -73.93 -1.59 20.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.494 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.66 -0.35 87.89 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -72.55 -79.59 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -106.06 -45.38 4.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.94 171.85 9.22 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -91.06 -61.08 1.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.904 0.383 . . . . 0.0 110.619 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -141.18 -91.95 0.15 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.604 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.68 2.43 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.3 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -96.39 134.54 39.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.742 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.9 tp -140.58 120.64 13.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.341 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.22 146.87 40.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -68.84 -29.75 68.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.322 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -56.41 -44.55 80.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.98 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -80.49 -28.48 37.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.681 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.4 tm? -55.28 -53.15 59.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.827 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -51.34 -36.39 42.63 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.651 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -79.39 -27.16 41.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.783 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 18' ' ' HIS . 21.2 tp -66.83 -56.37 10.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.932 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.53 -48.94 62.83 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.314 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.7 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.3 pt20 -66.33 -25.67 66.94 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.868 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.1 m -74.12 -37.68 64.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.144 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.59 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 1.5 mp0 -93.38 -26.49 17.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.857 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.45 46.04 2.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 110.466 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -68.31 -33.42 74.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.604 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.71 -39.92 7.95 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.57 -61.75 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 110.372 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.39 -10.62 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.672 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -96.61 -16.6 20.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.587 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.63 -2.83 43.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.639 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.513 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.7 pp0? -105.29 136.07 45.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.54 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -99.92 -0.48 39.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.513 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 62.4 m-20 -75.01 96.36 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.98 -27.35 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.627 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -73.33 -35.11 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.704 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.23 -51.54 63.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -66.97 -35.4 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.558 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -57.58 -44.16 85.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -62.52 -39.24 92.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.684 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -74.83 -30.68 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.679 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 31.6 ttp -72.75 -50.02 27.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.474 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.64 -31.68 72.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -53.01 -32.98 49.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.26 -40.46 90.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.57 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -66.35 -34.94 79.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.502 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -68.58 -38.37 80.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.122 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -101.19 94.04 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.242 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -121.23 -3.93 10.32 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' GLY . 42.2 t0 -37.89 -26.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.901 0.381 . . . . 0.0 110.487 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 101.29 -6.05 55.75 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -142.97 132.18 23.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.064 0.459 . . . . 0.0 110.528 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.606 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.62 -154.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.341 -179.483 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.606 ' H ' HG12 ' A' ' 69' ' ' VAL . 23.7 m-20 -152.74 143.91 23.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.912 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -49.05 -53.16 21.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.752 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -55.88 -33.5 64.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.709 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' O ' HD23 ' A' ' 77' ' ' LEU . 71.5 mm-40 -75.19 -30.94 60.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.961 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.488 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.6 t80 -70.74 -42.04 71.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.845 0.355 . . . . 0.0 111.062 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.8 m -74.87 -27.84 20.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.55 -39.86 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.5 pp -77.26 -34.76 55.69 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.076 -0.649 . . . . 0.0 111.79 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 79' ' ' ALA . 30.6 m -63.21 -44.47 99.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.479 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.494 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -70.52 -34.65 72.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.699 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.52 -26.13 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.504 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.7 mt -75.54 -38.1 59.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.685 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.9 m -62.05 -55.46 28.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.781 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -47.1 -38.69 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.653 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -24.66 68.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.661 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.9 t -81.57 -60.3 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.637 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' A' ' 88' ' ' PHE . 5.5 m120 -48.46 -28.75 3.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.662 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -46.77 -12.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.768 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 86' ' ' ASN . 37.9 t80 -73.9 -31.77 63.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.418 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -58.35 -5.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.435 ' H ' ' C ' ' A' ' 88' ' ' PHE . 21.4 m95 -79.58 138.19 37.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.474 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -85.12 179.13 7.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -85.33 121.61 28.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.535 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -70.35 161.17 30.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.887 0.375 . . . . 0.0 110.468 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.463 ' O ' ' OG1' ' B' ' 6' ' ' THR . 92.9 mt-10 -57.33 -33.89 68.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.675 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.784 HD13 ' C ' ' B' ' 4' ' ' LEU . 3.0 tm? -67.98 -48.67 65.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.036 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.84 -37.69 77.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 23.7 p -64.4 -34.87 79.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.69 -41.31 73.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.49 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mmm -69.47 -36.83 76.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.404 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -56.93 -33.87 67.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.586 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 24.1 m -60.71 -42.36 97.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.696 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.592 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.9 mm? -59.33 -31.35 69.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 11.1 mm -71.03 -44.18 75.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -60.04 -55.64 31.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.407 HG13 ' N ' ' B' ' 15' ' ' PHE . 11.9 p -60.18 -36.73 69.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.407 ' N ' HG13 ' B' ' 14' ' ' VAL . 43.7 t80 -60.82 -42.93 98.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.666 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -84.55 -18.64 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.736 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.57 -35.99 73.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.799 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.437 ' CD2' HD13 ' B' ' 36' ' ' LEU . 66.7 m-70 -93.29 -11.75 31.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.958 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.3 m -73.86 -1.61 20.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.62 -0.4 87.94 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -72.43 -79.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.656 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -106.13 -45.29 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.13 171.97 9.51 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -91.21 -60.99 1.76 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.82 0.343 . . . . 0.0 110.503 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' B' ' 27' ' ' LYS . 74.8 mttt -141.19 -91.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.88 2.53 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.232 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' B' ' 25' ' ' LYS . 37.5 mtmt -96.48 134.5 39.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.706 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 tp -140.47 120.84 14.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.392 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.54 146.86 40.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.013 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -68.65 -29.79 68.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.32 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -56.47 -44.81 80.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.745 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -80.3 -28.49 38.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.653 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.67 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.4 tm? -55.1 -53.39 56.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -51.11 -36.51 40.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.638 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -79.35 -27.18 41.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.725 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.437 HD13 ' CD2' ' B' ' 18' ' ' HIS . 20.9 tp -66.91 -56.45 10.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.805 -178.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.699 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.41 -48.98 62.47 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.335 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.699 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.3 pt20 -66.41 -25.66 66.86 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.865 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 67.1 m -74.09 -37.7 64.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.134 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.578 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 1.5 mp0 -93.42 -26.48 17.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.859 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.49 46.06 2.07 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 110.336 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -68.39 -33.27 73.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.631 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.74 -40.01 7.89 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.61 -61.7 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.661 0.267 . . . . 0.0 110.443 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -61.32 -10.55 7.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.725 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -96.6 -16.68 20.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.601 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.66 -2.83 43.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.602 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.7 pp0? -105.13 136.05 45.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.69 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -99.95 -0.48 39.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.52 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 62.9 m-20 -75.06 96.34 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.479 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.95 -27.47 37.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.51 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -73.21 -35.23 66.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.677 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.13 -51.48 63.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -67.05 -35.36 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.619 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -57.65 -44.12 85.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.547 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -62.41 -39.46 93.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.624 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.81 -30.58 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.677 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 31.5 ttp -72.92 -49.95 26.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.46 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.59 -31.66 72.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -52.94 -33.1 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.27 -40.43 90.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.482 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.48 -34.77 78.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.449 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -68.63 -38.46 80.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.042 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -101.12 93.95 5.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.342 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -121.12 -3.9 10.43 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' B' ' 65' ' ' GLY . 42.2 t0 -37.93 -26.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.793 0.33 . . . . 0.0 110.433 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 101.31 -6.65 56.02 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -141.75 132.3 25.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 0.0 110.737 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.593 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -93.7 -155.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.135 -179.456 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.593 ' H ' HG12 ' B' ' 69' ' ' VAL . 23.4 m-20 -152.28 144.07 23.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.826 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -49.05 -53.3 20.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.768 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -55.81 -33.46 64.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.735 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.414 ' O ' HD23 ' B' ' 77' ' ' LEU . 71.5 mm-40 -75.34 -30.7 60.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.49 ' O ' HG13 ' B' ' 78' ' ' VAL . 18.6 t80 -70.84 -42.05 70.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.731 0.301 . . . . 0.0 110.997 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.3 m -74.84 -27.98 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.974 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -39.93 34.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.418 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -77.15 -34.71 56.46 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.823 -178.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.49 HG13 ' O ' ' B' ' 74' ' ' TYR . 31.0 m -63.24 -44.47 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.507 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.49 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -70.57 -34.53 72.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.762 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.53 -26.17 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.515 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.41 -38.25 59.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.745 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 53.0 m -62.1 -55.29 30.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -47.14 -38.73 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.688 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.8 -24.81 67.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.682 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 7.8 t -81.57 -60.18 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.687 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' B' ' 88' ' ' PHE . 5.5 m120 -48.6 -28.84 3.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.422 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -46.77 -12.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.685 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' B' ' 86' ' ' ASN . 37.6 t80 -73.83 -31.66 63.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.554 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -58.52 -5.12 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.437 ' H ' ' C ' ' B' ' 88' ' ' PHE . 21.4 m95 -79.61 138.07 37.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.555 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -84.99 179.06 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.505 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -85.21 121.4 27.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.608 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.552 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t -78.0 146.54 35.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.697 0.284 . . . . 0.0 110.596 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.53 -33.1 73.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.449 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.589 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -63.52 -48.68 76.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.417 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -69.2 -31.53 70.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.37 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.1 m -69.49 -36.14 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.7 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.57 74.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.655 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.8 mmm -67.09 -39.74 86.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.463 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -54.16 -34.51 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.625 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.467 HG22 HD22 ' B' ' 4' ' ' LEU . 18.5 m -59.98 -38.97 84.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.62 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.6 mm? -63.97 -31.31 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.639 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 mm -71.11 -40.31 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -59.9 -55.19 37.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.787 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.3 p -60.64 -43.47 94.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.505 ' N ' HG13 ' A' ' 14' ' ' VAL . 66.0 t80 -55.45 -38.75 69.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.527 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -84.62 -17.8 37.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.685 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.09 -37.19 64.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.651 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.679 ' CD2' HD13 ' A' ' 36' ' ' LEU . 40.6 m-70 -90.09 -9.56 47.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.731 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.2 m -77.43 6.5 6.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.518 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.91 -6.26 62.09 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -73.34 -74.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.947 0.403 . . . . 0.0 110.524 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -136.53 64.44 1.55 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.407 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ASP . . . -168.76 135.04 3.43 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 23' ' ' GLY . 91.7 m-20 -36.86 -77.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.549 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 26' ' ' TYR . 17.2 pttp -160.58 -41.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.412 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' OH ' HG23 ' B' ' 83' ' ' VAL . 0.1 OUTLIER -100.84 17.96 20.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.04 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -129.64 138.23 51.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.452 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 33' ' ' LEU . 31.6 tp -134.19 130.54 37.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.243 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.461 ' HG ' ' HG2' ' A' ' 32' ' ' GLU . 32.5 p -69.15 150.79 47.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.33 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HZ3' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -64.95 -43.88 91.26 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.264 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -33.77 66.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.56 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' HG2' ' HG ' ' A' ' 29' ' ' SER . 72.6 mm-40 -80.35 -49.98 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.454 HD12 HD23 ' A' ' 28' ' ' LEU . 7.4 tt -57.59 -34.83 69.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.76 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -52.46 -45.18 65.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.44 ' O ' ' OG1' ' A' ' 39' ' ' THR . 74.5 mm-40 -79.37 -27.25 41.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.444 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.679 HD13 ' CD2' ' A' ' 18' ' ' HIS . 42.1 tp -59.25 -54.76 43.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.914 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.0 pp -50.49 -47.77 57.06 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.093 -0.243 . . . . 0.0 111.387 -178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.654 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.0 pt20 -74.66 -25.85 59.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.783 0.325 . . . . 0.0 111.058 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 58.5 m -68.06 -38.77 82.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.284 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.439 ' OE1' ' CB ' ' B' ' 4' ' ' LEU . 64.7 mm-40 -92.85 -26.53 17.62 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.321 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.56 46.14 1.79 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.717 0.294 . . . . 0.0 110.489 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 t -68.38 -28.77 67.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.16 -53.29 9.3 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.402 ' C ' ' H ' ' A' ' 46' ' ' ASP . 23.3 m-85 -45.82 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.712 0.291 . . . . 0.0 110.977 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.06 -9.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.851 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 44' ' ' PHE . 16.1 t70 -104.97 -14.8 15.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.649 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.74 -2.88 19.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.68 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.586 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.2 pp0? -103.77 138.98 39.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.557 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -98.53 -16.05 19.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.586 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 40.4 m-20 -61.16 99.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.498 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.1 t -76.75 -34.88 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.683 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -69.54 -34.68 74.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.762 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.58 -51.6 64.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.749 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.3 p -70.71 -31.97 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.63 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -55.14 -48.11 74.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.552 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.41 -34.82 79.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.521 HG11 HD21 ' A' ' 81' ' ' LEU . 92.2 t -75.62 -30.6 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.587 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 29.7 ttp -71.82 -51.49 22.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.474 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.4 pttt -63.12 -31.51 72.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -55.91 -35.06 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.524 HD23 ' HZ3' ' A' ' 30' ' ' LYS . 22.6 mt -64.76 -35.97 82.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -74.82 -27.57 60.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.652 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -72.01 -34.39 68.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.428 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -94.02 51.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.53 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.455 ' C ' ' N ' ' A' ' 67' ' ' GLY . . . -81.79 8.73 58.84 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -47.65 -16.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.811 0.339 . . . . 0.0 110.583 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.455 ' N ' ' C ' ' A' ' 65' ' ' GLY . . . 99.67 -12.04 61.16 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -150.46 132.04 14.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.041 0.448 . . . . 0.0 110.412 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.466 HG22 ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -93.13 -154.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.414 0.626 . . . . 0.0 111.302 -179.735 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.463 ' H ' HG12 ' A' ' 69' ' ' VAL . 48.9 m-20 -145.25 133.19 21.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.549 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -48.13 -47.55 34.59 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.565 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -51.47 -37.71 50.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.379 . . . . 0.0 110.082 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -75.69 -30.51 59.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.576 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.708 ' O ' HG13 ' A' ' 78' ' ' VAL . 49.4 t80 -63.33 -40.21 96.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.51 -30.15 21.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.8 -39.57 31.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.35 -34.45 48.42 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.933 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.1 m -62.26 -41.83 92.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.408 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.468 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -72.01 -38.29 69.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.704 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.27 -24.21 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.517 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.521 HD21 HG11 ' A' ' 57' ' ' VAL . 54.9 mt -75.88 -36.36 59.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.647 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 85' ' ' CYS . 50.2 m -72.33 -55.73 6.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.454 HG23 ' OH ' ' B' ' 26' ' ' TYR . 5.1 p -48.33 -25.82 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 110.505 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.21 -30.89 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.505 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 82' ' ' THR . 25.6 t -73.43 -50.05 23.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.643 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 88' ' ' PHE . 1.3 m120 -53.45 -35.92 61.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.489 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -46.01 -14.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 86' ' ' ASN . 53.8 t80 -67.3 -34.95 78.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.509 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -54.47 -16.73 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.671 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.46 ' O ' ' O ' ' A' ' 91' ' ' GLU . 22.0 m95 -69.73 -44.67 69.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.632 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 90' ' ' TRP . 50.7 tt0 44.8 98.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -80.35 174.21 11.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.445 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.545 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.774 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t -78.19 146.49 34.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.842 0.353 . . . . 0.0 110.604 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.48 -33.14 73.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.585 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -63.4 -48.77 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -69.05 -31.71 70.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.361 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 27.0 m -69.46 -36.12 76.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.672 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.47 -42.49 74.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.71 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.8 mmm -67.04 -39.96 87.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.384 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -54.1 -34.45 60.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.623 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.472 HG22 HD22 ' A' ' 4' ' ' LEU . 19.0 m -60.0 -39.13 84.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.747 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.624 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.6 mm? -63.79 -31.46 72.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.535 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.4 mm -71.04 -40.3 75.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -59.98 -55.42 34.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.59 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.508 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.3 p -60.43 -43.45 94.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.508 ' N ' HG13 ' B' ' 14' ' ' VAL . 65.8 t80 -55.42 -38.78 69.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.641 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -84.61 -17.95 37.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.548 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.93 -37.18 64.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.683 ' CD2' HD13 ' B' ' 36' ' ' LEU . 40.2 m-70 -90.2 -9.51 47.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.635 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.1 m -77.47 6.57 6.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.547 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.01 -6.14 62.02 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -73.43 -74.6 0.17 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.794 0.33 . . . . 0.0 110.613 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -136.68 64.38 1.55 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.41 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' B' ' 24' ' ' ASP . . . -168.66 135.03 3.43 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' B' ' 23' ' ' GLY . 92.0 m-20 -36.93 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.601 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' B' ' 26' ' ' TYR . 17.3 pttp -160.59 -41.17 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.361 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.454 ' OH ' HG23 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -100.73 17.78 21.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.049 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -129.52 138.27 51.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.467 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.462 HD23 HD12 ' B' ' 33' ' ' LEU . 31.9 tp -134.17 130.53 37.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.213 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.472 ' HG ' ' HG2' ' B' ' 32' ' ' GLU . 32.7 p -69.24 150.81 47.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.363 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.586 ' HZ3' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -64.92 -43.8 91.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.286 179.717 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -33.78 66.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.524 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.472 ' HG2' ' HG ' ' B' ' 29' ' ' SER . 72.5 mm-40 -80.32 -50.01 10.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.462 HD12 HD23 ' B' ' 28' ' ' LEU . 7.3 tt -57.5 -34.9 69.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.792 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -52.45 -45.09 65.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -79.37 -27.38 41.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.371 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.683 HD13 ' CD2' ' B' ' 18' ' ' HIS . 41.9 tp -59.02 -54.86 42.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -178.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.644 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.0 pp -50.53 -47.71 57.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.418 -178.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.644 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.0 pt20 -74.79 -25.61 59.17 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.007 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 57.7 m -68.16 -38.9 82.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.201 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.443 ' OE1' ' CB ' ' A' ' 4' ' ' LEU . 65.1 mm-40 -92.73 -26.58 17.69 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.365 -179.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.68 46.22 1.78 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.703 0.287 . . . . 0.0 110.393 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.5 t -68.4 -29.01 67.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.772 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.93 -53.39 9.52 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.411 ' C ' ' H ' ' B' ' 46' ' ' ASP . 22.9 m-85 -45.94 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.584 0.23 . . . . 0.0 110.909 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.11 -9.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.746 0.308 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' B' ' 44' ' ' PHE . 16.1 t70 -104.9 -14.73 15.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.676 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.78 -3.09 19.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.637 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.583 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.2 pp0? -103.61 139.05 39.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.574 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -98.73 -15.98 19.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.583 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 39.3 m-20 -60.99 99.16 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.723 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 71.3 t -76.67 -34.92 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.699 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -69.44 -34.72 74.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.767 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.7 -51.5 64.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.1 p -70.74 -31.99 47.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.704 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -54.96 -48.27 73.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.525 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -64.33 -34.79 78.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.653 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.516 HG11 HD21 ' B' ' 81' ' ' LEU . 92.2 t -75.6 -30.52 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.647 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 29.6 ttp -71.94 -51.49 21.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.46 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -62.96 -31.61 72.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -55.82 -35.23 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.594 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.586 HD23 ' HZ3' ' B' ' 30' ' ' LYS . 22.2 mt -64.59 -35.98 82.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -74.88 -27.52 60.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.645 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -71.98 -34.59 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.426 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -93.9 51.63 1.56 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.523 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.451 ' C ' ' N ' ' B' ' 67' ' ' GLY . . . -81.84 8.63 59.28 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -47.6 -16.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.472 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' B' ' 65' ' ' GLY . . . 99.62 -11.78 61.23 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -150.45 132.36 15.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.472 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.452 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.2 OUTLIER -94.81 -154.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.952 -179.263 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.452 ' H ' HG12 ' B' ' 69' ' ' VAL . 48.9 m-20 -144.94 133.28 21.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.622 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -48.2 -47.59 35.37 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.484 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -51.4 -37.74 49.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 0.0 110.087 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -75.75 -30.52 59.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.531 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.696 ' O ' HG13 ' B' ' 78' ' ' VAL . 49.6 t80 -63.12 -40.36 97.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.939 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.4 m -75.45 -30.2 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.74 -39.62 31.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.25 -34.46 49.07 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.006 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.696 HG13 ' O ' ' B' ' 74' ' ' TYR . 26.9 m -62.2 -41.92 93.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.43 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.472 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -71.91 -38.26 69.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.747 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.27 -24.44 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.511 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.516 HD21 HG11 ' B' ' 57' ' ' VAL . 54.2 mt -75.61 -36.47 60.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.8 m -72.22 -55.83 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.458 HG23 ' OH ' ' A' ' 26' ' ' TYR . 5.1 p -48.35 -25.76 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.55 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.86 65.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.465 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.5 t -73.44 -50.13 23.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.576 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' B' ' 88' ' ' PHE . 1.3 m120 -53.44 -35.83 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -46.07 -14.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.512 ' N ' ' O ' ' B' ' 86' ' ' ASN . 53.8 t80 -67.44 -34.91 78.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.499 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -54.49 -16.61 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.718 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.457 ' O ' ' O ' ' B' ' 91' ' ' GLU . 22.2 m95 -69.91 -44.51 69.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.553 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.457 ' O ' ' O ' ' B' ' 90' ' ' TRP . 50.7 tt0 44.76 98.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.629 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -80.38 174.16 11.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.52 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.635 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -76.71 154.92 33.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.748 0.308 . . . . 0.0 110.626 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.18 -34.91 74.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.787 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.8 tm? -58.47 -47.99 82.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.147 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.7 -32.55 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.1 m -66.64 -36.32 82.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.67 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.43 -43.46 75.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.5 mmm -67.96 -38.03 82.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.596 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -54.3 -36.32 63.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -59.64 -43.59 93.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -56.55 -31.1 63.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.384 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.2 mm -70.63 -44.69 76.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.694 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -60.83 -55.69 30.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.518 HG13 ' N ' ' A' ' 15' ' ' PHE . 10.5 p -58.52 -43.03 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.518 ' N ' HG13 ' A' ' 14' ' ' VAL . 85.5 t80 -60.48 -38.65 84.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -71.03 -56.0 7.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.756 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.13 -46.58 11.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.032 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.529 ' CD2' HD13 ' A' ' 36' ' ' LEU . 63.4 m-70 -72.58 -34.81 67.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.732 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 68.1 m -65.04 -16.91 63.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.538 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.26 2.35 7.34 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -76.82 -106.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.749 0.309 . . . . 0.0 110.515 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -79.85 -35.13 38.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.613 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.14 151.38 51.57 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.432 ' H ' ' HE2' ' A' ' 27' ' ' LYS . 60.2 t0 -61.86 -52.31 64.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.698 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.4 pttt -170.27 -45.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.19 26.95 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.199 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HE2' ' H ' ' A' ' 24' ' ' ASP . 36.6 mtmt -131.8 139.84 49.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.252 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 tp -129.91 114.74 16.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.455 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.431 ' OG ' ' CG ' ' A' ' 32' ' ' GLU . 61.6 p -57.3 158.1 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.361 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' NZ ' ' CG1' ' A' ' 69' ' ' VAL . 0.3 OUTLIER -68.81 -48.07 64.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.687 179.708 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.09 -46.98 82.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.888 -179.561 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' CG ' ' OG ' ' A' ' 29' ' ' SER . 30.0 mm-40 -63.94 -40.27 96.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.866 0.365 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.787 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.7 tm? -60.33 -44.73 95.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.287 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -52.59 -45.06 66.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.733 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -78.64 -27.11 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.311 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.529 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.9 tp -58.52 -56.29 24.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.916 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -50.87 -50.4 57.13 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.463 -178.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.7 ' N ' HD12 ' A' ' 37' ' ' LEU . 3.4 pt20 -68.37 -25.54 65.13 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.802 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.8 m -73.7 -38.79 64.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.249 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -93.78 -27.18 16.62 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.507 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.69 46.32 1.95 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.843 0.354 . . . . 0.0 110.541 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -68.55 -27.3 65.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.805 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.79 -49.59 10.24 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.415 ' C ' ' H ' ' A' ' 46' ' ' ASP . 14.7 m-85 -50.65 -63.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.953 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.53 -8.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.983 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 44' ' ' PHE . 45.8 m-20 -105.44 -11.35 16.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.631 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.34 -2.66 14.74 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.954 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.587 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.5 pp0? -94.98 150.24 20.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.659 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.5 mttp -116.76 -1.5 12.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.537 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.587 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 56.5 m-20 -81.18 105.79 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.9 t -78.91 -24.91 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.593 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -74.6 -33.49 62.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.623 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.73 -51.61 53.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.725 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 p -65.64 -32.49 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.667 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -58.08 -45.8 86.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -66.26 -34.44 78.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.507 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.413 HG11 HD21 ' A' ' 81' ' ' LEU . 93.8 t -76.81 -30.67 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.711 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.0 ttm -70.91 -49.73 42.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.407 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -64.92 -31.74 73.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -53.65 -33.77 56.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.636 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.42 -39.11 92.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.599 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -72.12 -27.47 62.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.792 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -71.07 -36.89 72.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.456 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.536 ' C ' ' H ' ' A' ' 66' ' ' ASP . 5.1 m120 -93.86 28.43 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.681 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -55.44 -2.62 0.29 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' A' ' 64' ' ' ASN . 47.4 t0 -41.34 -18.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.801 0.334 . . . . 0.0 110.579 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.569 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 97.6 -1.2 59.94 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -162.89 132.23 4.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.379 . . . . 0.0 110.604 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.423 ' CG1' ' NZ ' ' A' ' 30' ' ' LYS . 20.9 m -92.43 -171.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.991 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -126.72 154.5 44.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.114 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -52.35 -48.16 65.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.691 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -57.85 -33.43 68.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.661 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 77' ' ' LEU . 75.2 mm-40 -74.54 -30.95 61.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.65 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.2 t80 -70.08 -41.5 74.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.127 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.0 m -75.26 -27.96 20.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.67 -39.54 32.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.7 pp -78.44 -35.1 47.34 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.145 -0.622 . . . . 0.0 112.189 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 74' ' ' TYR . 31.0 m -58.51 -41.04 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.393 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.449 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -75.38 -36.77 60.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.694 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.28 -30.36 27.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.529 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.413 HD21 HG11 ' A' ' 57' ' ' VAL . 81.9 mt -74.88 -38.94 61.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.8 m -64.95 -54.41 31.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.696 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.3 p -53.65 -32.47 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.539 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.57 38.8 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.659 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.5 t -154.08 -54.59 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.549 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -57.34 -30.47 64.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.444 ' O ' ' O ' ' A' ' 90' ' ' TRP . 43.6 t-20 -48.8 -30.44 5.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -51.9 -42.19 62.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.62 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -57.06 -42.44 80.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.547 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.444 ' O ' ' O ' ' A' ' 87' ' ' ASN . 17.5 m95 -94.18 150.46 20.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.627 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -92.47 174.77 7.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.534 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -74.66 151.17 39.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.627 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.543 179.898 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t -76.65 154.78 33.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.831 0.348 . . . . 0.0 110.639 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.14 -34.87 74.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.795 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.8 tm? -58.45 -48.02 82.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.134 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.65 -32.62 72.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.1 m -66.71 -36.27 82.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.33 75.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.647 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.8 mmm -68.08 -37.87 81.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.574 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -54.36 -36.36 63.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.9 m -59.6 -43.68 93.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.705 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.553 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -56.44 -31.17 63.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.8 mm -70.47 -44.79 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.761 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -60.74 -55.63 30.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.025 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.521 HG13 ' N ' ' B' ' 15' ' ' PHE . 10.5 p -58.7 -42.94 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.753 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.521 ' N ' HG13 ' B' ' 14' ' ' VAL . 86.2 t80 -60.59 -38.57 85.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.588 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -71.04 -56.02 7.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.765 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.11 -46.5 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.017 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.535 ' CD2' HD13 ' B' ' 36' ' ' LEU . 62.8 m-70 -72.75 -34.7 67.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.747 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.3 m -65.09 -16.84 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.566 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.21 2.32 7.29 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -76.77 -106.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 110.487 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -79.91 -35.19 38.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.539 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.2 151.41 51.59 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.421 ' H ' ' HE2' ' B' ' 27' ' ' LYS . 60.3 t0 -61.86 -52.41 64.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.593 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -170.19 -45.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.661 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.19 27.0 8.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.133 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.421 ' HE2' ' H ' ' B' ' 24' ' ' ASP . 36.6 mtmt -131.74 139.8 49.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.317 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.4 tp -129.92 114.84 16.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.328 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.433 ' OG ' ' CG ' ' B' ' 32' ' ' GLU . 61.5 p -57.5 158.09 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.366 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.424 ' HZ2' HG12 ' B' ' 69' ' ' VAL . 0.2 OUTLIER -68.79 -48.05 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.599 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.492 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.1 -46.98 82.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.885 -179.515 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.433 ' CG ' ' OG ' ' B' ' 29' ' ' SER . 30.0 mm-40 -63.88 -40.38 96.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.928 0.394 . . . . 0.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.778 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.7 tm? -60.22 -44.91 94.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.314 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -52.51 -44.97 66.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.668 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -78.79 -27.08 44.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.237 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.535 HD13 ' CD2' ' B' ' 18' ' ' HIS . 21.1 tp -58.45 -56.26 24.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.935 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.692 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -50.78 -50.46 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.518 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.692 ' N ' HD12 ' B' ' 37' ' ' LEU . 3.4 pt20 -68.47 -25.48 65.0 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.746 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 74.3 m -73.67 -38.9 64.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.198 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -93.78 -27.14 16.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.51 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.72 46.13 2.0 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.517 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -68.32 -27.34 66.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.94 -49.49 9.85 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.419 ' C ' ' H ' ' B' ' 46' ' ' ASP . 14.4 m-85 -50.63 -63.57 1.08 Allowed 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.833 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -55.51 -8.32 0.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.021 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' B' ' 44' ' ' PHE . 45.9 m-20 -105.54 -11.32 16.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.636 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.38 -2.67 14.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.965 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.578 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.5 pp0? -94.95 150.37 20.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.732 0.301 . . . . 0.0 110.677 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -116.9 -1.32 12.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.578 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 56.7 m-20 -81.22 105.88 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.551 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.0 t -79.03 -24.94 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.61 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -74.48 -33.44 62.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.82 -51.65 53.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.698 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.2 p -65.63 -32.44 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.692 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -58.16 -45.76 86.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.616 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -66.29 -34.25 77.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.707 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.408 HG11 HD21 ' B' ' 81' ' ' LEU . 93.3 t -76.93 -30.64 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.698 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 27.1 ttm -70.92 -49.79 41.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.364 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -64.87 -31.7 73.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -53.76 -33.75 56.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 50.6 mt -62.5 -38.95 91.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -72.09 -27.58 62.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.789 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -71.03 -36.99 72.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.429 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' B' ' 66' ' ' ASP . 5.2 m120 -93.72 28.34 2.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.693 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -55.47 -2.54 0.29 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' B' ' 64' ' ' ASN . 47.2 t0 -41.37 -18.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.629 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.569 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 97.47 -0.87 59.97 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -162.99 132.41 4.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.693 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.424 HG12 ' HZ2' ' B' ' 30' ' ' LYS . 19.3 m -93.72 -171.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.785 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -126.45 154.74 43.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.12 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -52.64 -47.94 66.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.729 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -57.91 -33.36 68.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.422 ' O ' HD23 ' B' ' 77' ' ' LEU . 75.2 mm-40 -74.55 -30.85 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.662 ' O ' HG13 ' B' ' 78' ' ' VAL . 18.0 t80 -70.25 -41.4 73.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.839 0.352 . . . . 0.0 111.122 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.7 m -75.25 -28.04 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.66 -39.7 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.439 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -78.19 -35.3 48.78 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.113 -0.635 . . . . 0.0 112.183 -178.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.662 HG13 ' O ' ' B' ' 74' ' ' TYR . 31.1 m -58.38 -41.12 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.484 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.449 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -75.27 -36.7 61.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.36 -30.31 28.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.493 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.408 HD21 HG11 ' B' ' 57' ' ' VAL . 82.6 mt -74.87 -38.85 61.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.548 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.0 m -65.07 -54.52 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.598 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 6.3 p -53.64 -32.34 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.536 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.61 38.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.648 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.5 t -154.01 -54.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -57.28 -30.41 64.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.715 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.439 ' O ' ' O ' ' B' ' 90' ' ' TRP . 43.3 t-20 -48.76 -30.58 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.644 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -51.74 -42.33 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.671 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -56.86 -42.49 79.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.625 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.439 ' O ' ' O ' ' B' ' 87' ' ' ASN . 17.6 m95 -94.22 150.38 20.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -92.38 174.76 7.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.55 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -74.68 151.28 39.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.647 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.575 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -62.15 162.49 9.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.797 0.332 . . . . 0.0 110.562 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -56.78 -35.86 69.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.556 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -66.33 -48.59 69.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.388 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.16 -31.53 69.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.38 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 55.8 m -69.49 -34.93 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.795 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.58 76.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.619 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.4 mmm -65.4 -40.63 93.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.496 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -54.08 -34.22 59.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.651 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.1 m -59.68 -40.08 86.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.648 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.636 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.5 mm? -66.26 -31.49 72.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.501 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.435 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 23.4 mm -68.18 -43.79 84.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -59.98 -55.75 30.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.015 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.3 p -62.29 -40.97 89.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.808 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.489 ' N ' HG13 ' A' ' 14' ' ' VAL . 83.4 t80 -58.37 -40.16 81.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.621 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -82.74 -18.34 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.35 -40.47 67.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.72 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.588 ' CD2' HD13 ' A' ' 36' ' ' LEU . 79.1 m-70 -87.45 -12.23 46.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.775 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.1 m -72.21 -13.81 61.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.545 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.45 -6.38 88.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -61.13 -48.39 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.528 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -167.73 38.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.454 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -131.95 158.55 22.93 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.35 -62.59 1.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.867 0.365 . . . . 0.0 110.396 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 26' ' ' TYR . 17.9 pttp -175.26 -41.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.25 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.512 ' OH ' HG23 ' B' ' 83' ' ' VAL . 0.1 OUTLIER -95.68 -15.77 22.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.0 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -90.8 148.32 22.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.694 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 tp -137.03 110.53 7.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.281 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -52.08 143.78 13.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.285 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.54 ' HZ3' ' HA ' ' A' ' 61' ' ' LEU . 12.6 tptt -68.87 -29.87 68.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.199 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.49 -45.84 80.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.389 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -80.54 -28.52 37.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.964 0.411 . . . . 0.0 110.614 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.679 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.2 tm? -55.28 -56.27 21.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.812 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 15.8 ptmt -52.27 -39.05 59.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.97 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.462 ' O ' ' OG1' ' A' ' 39' ' ' THR . 94.6 mt-10 -79.33 -27.66 42.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.829 0.347 . . . . 0.0 111.014 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.588 HD13 ' CD2' ' A' ' 18' ' ' HIS . 22.1 tp -64.76 -56.15 15.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.675 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.68 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -51.06 -48.89 61.46 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.182 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.68 ' N ' HD12 ' A' ' 37' ' ' LEU . 13.3 pt20 -70.08 -25.52 63.56 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.974 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 22.2 m -70.76 -40.99 72.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.397 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -93.67 -26.77 16.9 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.432 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.66 46.27 2.04 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.829 0.347 . . . . 0.0 110.529 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -68.65 -34.39 75.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.803 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.48 -50.66 36.21 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.515 ' C ' ' H ' ' A' ' 46' ' ' ASP . 10.2 m-85 -46.11 -67.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.596 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.42 HD12 ' C ' ' A' ' 45' ' ' LEU . 3.4 pp -52.0 -6.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.846 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 44' ' ' PHE . 11.5 t0 -105.6 -26.48 11.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.755 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.07 -3.11 48.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.559 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.9 pp0? -105.74 133.76 49.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 110.593 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -99.67 -3.22 33.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.625 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.559 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 36.2 m-20 -64.04 105.42 0.86 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.501 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.8 t -80.54 -38.09 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.805 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 35.3 p-10 -70.53 -36.68 73.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.791 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.568 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -65.05 -51.61 60.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.695 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 50' ' ' ASP . 9.1 p -67.29 -34.97 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.619 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -57.54 -40.84 79.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.652 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -64.79 -40.6 95.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.621 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.6 t -77.07 -30.5 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.729 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.0 ttt -68.6 -51.46 42.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.413 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -65.99 -31.48 72.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.61 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -56.57 -31.05 63.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.744 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.54 ' HA ' ' HZ3' ' A' ' 30' ' ' LYS . 91.1 mt -60.39 -32.94 71.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.561 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -75.12 -48.03 25.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.379 . . . . 0.0 110.418 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -52.25 -39.53 60.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.55 ' C ' ' H ' ' A' ' 66' ' ' ASP . 32.3 m-20 -90.99 22.25 3.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.543 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.48 16.94 0.49 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.55 ' H ' ' C ' ' A' ' 64' ' ' ASN . 22.1 t70 -49.59 -43.23 46.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.497 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.98 -13.98 2.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -174.39 134.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.106 0.479 . . . . 0.0 110.999 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.484 HG21 ' HG ' ' A' ' 33' ' ' LEU . 2.6 m -91.85 -172.7 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.993 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -121.76 162.28 21.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.099 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.435 ' CZ ' ' CD1' ' A' ' 12' ' ' ILE . 31.9 t80 -53.83 -51.77 62.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -53.91 -35.02 61.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.4 ' O ' HG12 ' A' ' 76' ' ' VAL . 45.9 mt-10 -75.75 -30.82 59.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.329 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.665 ' O ' HG13 ' A' ' 78' ' ' VAL . 28.2 t80 -68.34 -37.09 80.19 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.309 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.8 m -75.14 -27.75 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -76.51 -39.51 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.421 -0.511 . . . . 0.0 112.378 -178.604 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.7 pp -78.33 -35.72 47.26 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.107 -0.637 . . . . 0.0 112.071 -178.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 74' ' ' TYR . 26.8 m -59.24 -42.83 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.556 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.487 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -75.04 -35.1 61.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.711 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.609 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -50.62 -25.99 4.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.592 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 72.9 mt -75.65 -33.49 60.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.804 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.551 ' O ' ' N ' ' A' ' 85' ' ' CYS . 51.6 m -67.0 -51.54 53.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.11 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 80' ' ' ALA . 3.7 p -36.82 -30.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.799 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 82' ' ' THR . . . -67.3 -40.72 86.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.697 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.551 ' N ' ' O ' ' A' ' 82' ' ' THR . 3.8 t -64.42 -50.75 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 88' ' ' PHE . 1.9 m-20 -61.78 -29.02 69.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.61 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -49.46 -17.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' N ' ' C ' ' A' ' 86' ' ' ASN . 44.7 t80 -64.76 -34.44 78.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.603 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -55.9 -16.69 5.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.66 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.414 ' CD1' ' N ' ' A' ' 90' ' ' TRP . 22.0 m95 -70.68 141.0 51.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.628 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -159.83 -39.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.545 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.458 ' O ' ' OXT' ' A' ' 93' ' ' SER . 15.1 m120 56.68 51.87 10.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.458 ' OXT' ' O ' ' A' ' 92' ' ' ASN . 18.5 m . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.528 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -62.14 162.45 9.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.703 0.287 . . . . 0.0 110.554 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -56.61 -35.91 68.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.675 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.605 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -66.42 -48.54 69.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.374 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.24 -31.43 68.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.432 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 54.4 m -69.43 -35.0 75.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.769 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.53 76.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.4 mmm -65.41 -40.7 93.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.48 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -53.97 -34.37 59.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.639 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 20.0 m -59.65 -39.96 86.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.755 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.646 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.5 mm? -66.17 -31.53 72.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.435 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 22.9 mm -68.14 -43.85 84.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.883 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -60.04 -55.56 32.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.037 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.485 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.3 p -62.47 -40.85 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.718 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.485 ' N ' HG13 ' B' ' 14' ' ' VAL . 83.3 t80 -58.51 -40.06 81.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.658 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -82.8 -18.18 41.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.44 -40.38 67.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.727 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.588 ' CD2' HD13 ' B' ' 36' ' ' LEU . 79.1 m-70 -87.43 -12.37 46.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.812 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.4 m -72.05 -13.82 61.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.53 -6.34 88.69 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -61.02 -48.55 81.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 110.615 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -167.67 38.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.01 158.63 22.98 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.51 -62.4 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' B' ' 26' ' ' TYR . 17.8 pttp -175.3 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.373 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.505 ' OH ' HG23 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -95.68 -15.74 22.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.137 179.77 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -90.71 148.49 22.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.668 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 tp -137.22 110.46 7.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.159 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -51.98 143.72 13.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.277 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.548 ' HZ3' ' HA ' ' B' ' 61' ' ' LEU . 12.7 tptt -68.91 -29.85 68.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.221 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.489 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.41 -45.9 80.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.435 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -80.55 -28.49 37.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.571 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.679 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.2 tm? -55.32 -56.29 21.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.724 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.422 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 15.7 ptmt -52.29 -38.99 59.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.053 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.433 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.7 mt-10 -79.49 -27.45 41.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.02 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.588 HD13 ' CD2' ' B' ' 18' ' ' HIS . 22.1 tp -64.78 -56.06 15.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.736 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.677 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.2 pp -51.23 -48.69 62.03 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.237 -179.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.677 ' N ' HD12 ' B' ' 37' ' ' LEU . 13.3 pt20 -70.09 -25.68 63.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 111.0 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 22.1 m -70.59 -41.13 72.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.403 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -93.66 -26.7 16.94 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.337 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.76 46.38 2.03 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.815 0.34 . . . . 0.0 110.444 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -68.83 -34.36 75.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.54 -50.79 34.96 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.532 ' C ' ' H ' ' B' ' 46' ' ' ASP . 10.2 m-85 -45.98 -67.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 110.628 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.412 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.5 pp -52.11 -6.26 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.894 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.532 ' H ' ' C ' ' B' ' 44' ' ' PHE . 11.5 t0 -105.75 -26.44 11.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.658 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.24 -2.86 48.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.554 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.9 pp0? -105.57 133.76 49.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.683 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -99.73 -3.23 33.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.574 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.554 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 36.2 m-20 -64.04 105.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.459 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.4 t -80.52 -38.13 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.746 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 35.3 p-10 -70.56 -36.59 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.576 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -65.21 -51.49 60.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.745 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.407 HG12 ' O ' ' B' ' 50' ' ' ASP . 9.2 p -67.18 -35.07 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.67 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -57.43 -40.9 79.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -64.98 -40.39 94.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.628 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -77.1 -30.49 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.9 ttt -68.68 -51.4 42.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.393 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -65.94 -31.55 72.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -56.6 -31.08 63.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.741 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.548 ' HA ' ' HZ3' ' B' ' 30' ' ' LYS . 90.7 mt -60.23 -33.0 71.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.676 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -75.12 -48.07 25.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.406 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -52.31 -39.56 60.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.49 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.545 ' C ' ' H ' ' B' ' 66' ' ' ASP . 32.3 m-20 -91.04 22.51 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.461 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.63 16.94 0.51 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' B' ' 64' ' ' ASN . 22.0 t70 -49.53 -43.21 45.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.52 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.97 -14.03 2.37 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -174.32 134.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.983 0.42 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.48 HG13 ' HD2' ' B' ' 30' ' ' LYS . 2.6 m -93.01 -172.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.787 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -121.48 162.3 20.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.197 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.435 ' CZ ' ' CD1' ' B' ' 12' ' ' ILE . 31.5 t80 -53.82 -51.76 62.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.837 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -53.91 -35.06 61.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -75.77 -31.02 59.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.264 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.676 ' O ' HG13 ' B' ' 78' ' ' VAL . 28.2 t80 -68.18 -37.15 80.66 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.278 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 30.7 m -75.05 -27.93 20.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.49 -39.44 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.409 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.7 pp -78.34 -35.74 47.13 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.224 -0.591 . . . . 0.0 112.094 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.676 HG13 ' O ' ' B' ' 74' ' ' TYR . 26.8 m -59.44 -42.48 87.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.65 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.487 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -75.22 -35.11 61.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.702 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.618 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -50.52 -26.02 4.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.658 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.1 mt -75.71 -33.27 60.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.572 ' O ' ' N ' ' B' ' 85' ' ' CYS . 52.5 m -67.14 -51.54 52.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.618 HG12 ' O ' ' B' ' 80' ' ' ALA . 3.6 p -36.59 -31.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.772 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 82' ' ' THR . . . -67.24 -40.64 86.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.716 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.572 ' N ' ' O ' ' B' ' 82' ' ' THR . 3.7 t -64.57 -50.65 66.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' B' ' 88' ' ' PHE . 1.9 m-20 -61.97 -28.76 69.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.576 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -49.59 -17.85 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.643 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.403 ' N ' ' C ' ' B' ' 86' ' ' ASN . 44.6 t80 -64.81 -34.31 78.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -55.9 -16.8 5.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.412 ' CD1' ' N ' ' B' ' 90' ' ' TRP . 21.8 m95 -70.67 141.14 51.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -159.99 -39.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.585 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.471 ' O ' ' OXT' ' B' ' 93' ' ' SER . 15.2 m120 56.71 51.85 10.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.507 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.471 ' OXT' ' O ' ' B' ' 92' ' ' ASN . 18.6 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.65 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.631 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -63.3 160.02 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.453 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -57.22 -38.7 74.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.641 ' O ' HD23 ' A' ' 4' ' ' LEU . 1.8 tt -58.73 -48.83 79.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.302 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.49 -32.26 72.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.331 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -69.24 -35.09 75.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.596 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.63 -44.15 76.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.363 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.8 mmm -66.72 -36.36 82.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.474 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 17.7 tt0 -57.14 -34.5 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.723 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.2 m -60.3 -41.6 93.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.592 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -60.63 -31.21 70.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.557 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -68.9 -42.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 11.4 m-80 -59.97 -55.59 32.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.016 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 15' ' ' PHE . 14.6 p -63.17 -39.04 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.734 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.457 ' O ' ' OG ' ' A' ' 19' ' ' SER . 85.0 t80 -55.14 -42.7 73.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.656 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -80.17 -39.62 28.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.779 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.71 -41.43 43.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.025 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.401 ' CE1' HD13 ' A' ' 36' ' ' LEU . 29.6 m-70 -87.86 -11.12 48.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.826 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 49.7 m -71.6 -23.71 61.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.653 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.57 -2.64 64.46 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -69.05 -54.43 15.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.819 0.343 . . . . 0.0 110.585 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -129.28 -44.66 1.25 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.436 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.4 172.9 41.01 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -90.05 -55.03 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.714 0.292 . . . . 0.0 110.718 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 27' ' ' LYS . 44.1 mttm -140.23 -89.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.659 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -76.78 17.21 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 25' ' ' LYS . 20.5 mtpp -109.35 132.63 53.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.607 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 tp -140.76 115.45 9.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.401 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 p -61.46 154.65 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.409 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HD2' HG13 ' A' ' 69' ' ' VAL . 7.2 tptt -68.56 -35.45 77.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.296 179.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.02 -43.41 81.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.115 -179.323 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -79.03 -28.65 43.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.799 0.333 . . . . 0.0 110.998 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.732 ' C ' HD13 ' A' ' 33' ' ' LEU . 3.0 tm? -65.33 -55.52 17.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.722 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.19 -40.63 61.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.741 0.305 . . . . 0.0 110.902 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -79.31 -27.31 42.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.061 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.401 HD13 ' CE1' ' A' ' 18' ' ' HIS . 20.3 tp -61.47 -56.24 22.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.909 -179.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.691 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -50.8 -49.88 57.49 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.691 ' N ' HD12 ' A' ' 37' ' ' LEU . 12.0 pt20 -65.04 -25.68 67.93 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.332 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.45 ' C ' ' OE1' ' A' ' 40' ' ' GLU . 25.0 m -74.22 -45.36 48.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.449 -179.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.584 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -87.83 -27.52 22.2 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.524 -178.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mp -116.27 45.03 1.85 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.842 0.353 . . . . 0.0 110.286 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 p -68.22 -27.87 66.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.014 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.25 -48.58 10.74 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.422 ' C ' ' H ' ' A' ' 46' ' ' ASP . 10.0 m-85 -50.26 -65.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.823 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.24 -9.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.804 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 44' ' ' PHE . 15.2 t70 -102.24 -17.9 15.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.651 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.24 -3.12 29.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.797 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' C ' ' CD ' ' A' ' 48' ' ' GLN . 4.4 pp0? -103.61 136.46 43.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.666 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -98.0 -24.9 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.445 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -51.43 103.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.721 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.99 -35.08 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.594 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -70.24 -36.96 74.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.657 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.45 69.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.676 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.45 -31.91 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -59.51 -46.14 89.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.565 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.84 -37.77 88.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.561 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -75.0 -30.41 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.649 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 ttt -71.05 -50.39 34.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.387 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -65.63 -31.76 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -54.06 -30.65 48.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.502 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.3 mt -63.44 -39.86 95.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.402 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -69.83 -27.53 64.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.645 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.56 -40.34 76.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.579 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.554 ' C ' ' H ' ' A' ' 66' ' ' ASP . 42.4 m-20 -92.1 32.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.764 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.588 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -58.15 1.12 0.27 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.554 ' H ' ' C ' ' A' ' 64' ' ' ASN . 24.2 t70 -39.14 -21.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.342 . . . . 0.0 110.595 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 97.9 3.54 58.06 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -169.11 131.95 1.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.064 0.459 . . . . 0.0 110.865 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.64 HG11 ' HG ' ' A' ' 33' ' ' LEU . 15.6 m -92.59 -172.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.874 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -129.96 153.77 48.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.708 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -48.5 -50.41 31.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.852 0.358 . . . . 0.0 110.67 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -57.58 -33.72 68.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -75.31 -30.54 60.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.668 ' O ' HG22 ' A' ' 78' ' ' VAL . 16.7 t80 -69.74 -41.49 75.19 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.952 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.9 m -75.04 -27.6 20.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.86 -38.43 36.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.8 pp -78.12 -44.11 27.04 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.755 -179.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 74' ' ' TYR . 17.0 m -58.62 -34.93 52.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.319 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.2 -34.26 61.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.625 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.35 -27.26 65.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.655 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.0 mt -75.44 -31.16 60.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.617 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.4 m -68.39 -55.35 12.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -52.92 -20.95 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.78 25.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 19.5 t -146.57 -54.22 0.25 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.617 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -52.59 -36.23 55.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.753 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -46.72 -24.31 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.669 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -56.72 -45.7 81.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.666 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -58.19 -47.12 84.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.726 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -82.28 158.58 23.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.495 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 50.48 85.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.462 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.426 ' OD1' ' C ' ' A' ' 92' ' ' ASN . 30.9 p30 -137.98 30.53 2.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.474 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.936 -1.03 . . . . 0.0 110.611 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.4 m -63.34 160.01 16.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.342 . . . . 0.0 110.471 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -57.21 -38.74 74.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.641 ' O ' HD23 ' B' ' 4' ' ' LEU . 1.8 tt -58.77 -48.68 80.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.382 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.54 -32.29 72.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.232 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 29.6 m -69.25 -35.2 75.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.44 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.91 76.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.457 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.2 mmm -66.81 -36.41 82.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 17.6 tt0 -57.11 -34.35 68.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.77 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.1 m -60.45 -41.71 94.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.609 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -60.51 -31.24 70.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.668 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -68.81 -42.87 82.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 11.3 m-80 -59.93 -55.58 32.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.005 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.468 HG13 ' N ' ' B' ' 15' ' ' PHE . 14.6 p -63.22 -39.17 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.468 ' N ' HG13 ' B' ' 14' ' ' VAL . 84.8 t80 -55.12 -42.57 73.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -80.44 -39.57 27.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.622 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.55 -41.36 41.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.157 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -87.89 -11.23 48.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.832 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 49.3 m -71.57 -23.87 61.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 0.0 110.489 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.39 -2.66 63.84 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -69.1 -54.38 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.636 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -129.34 -44.53 1.25 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.42 172.99 40.91 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -90.08 -55.09 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 110.735 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.413 ' C ' ' H ' ' B' ' 27' ' ' LYS . 44.1 mttm -140.31 -89.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.628 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -76.64 17.08 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' B' ' 25' ' ' LYS . 20.6 mtpp -109.3 132.62 53.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.589 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 tp -140.74 115.36 9.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.429 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.3 p -61.51 154.71 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.492 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.405 ' HD2' HG13 ' B' ' 69' ' ' VAL . 7.2 tptt -68.74 -35.23 76.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.342 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.484 ' H ' ' HD2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.22 -43.18 82.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.163 -179.375 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -79.19 -28.45 42.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.937 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.731 HD13 ' C ' ' B' ' 33' ' ' LEU . 3.0 tm? -65.34 -55.6 17.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.692 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.13 -40.78 61.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.838 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -79.13 -27.37 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.02 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.2 tp -61.59 -56.27 21.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.797 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.704 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.2 pp -50.86 -49.66 58.54 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.704 ' N ' HD12 ' B' ' 37' ' ' LEU . 12.0 pt20 -65.24 -25.51 67.71 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.348 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.449 ' C ' ' OE1' ' B' ' 40' ' ' GLU . 24.8 m -74.21 -45.32 49.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.482 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.576 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 0.0 OUTLIER -87.88 -27.6 22.1 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.555 -178.871 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mp -116.16 45.22 1.8 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.728 0.299 . . . . 0.0 110.3 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 26.6 p -68.37 -27.86 66.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.992 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.21 -48.54 10.86 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.42 ' C ' ' H ' ' B' ' 46' ' ' ASP . 10.1 m-85 -50.26 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.581 0.229 . . . . 0.0 110.803 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.27 -9.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.802 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' B' ' 44' ' ' PHE . 15.2 t70 -102.15 -17.87 15.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.4 -3.04 29.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.753 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -103.73 136.48 43.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.637 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -97.93 -24.87 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -51.43 103.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.61 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.04 -35.12 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.617 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -70.19 -37.01 75.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.63 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.77 -51.36 70.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.704 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.41 -31.97 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.656 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.5 -46.15 89.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.8 -37.84 88.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.84 -30.56 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.701 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.7 ttt -70.91 -50.49 34.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.433 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -65.6 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -53.94 -30.73 47.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.452 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.48 -39.85 95.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.354 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -69.77 -27.71 65.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.559 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.48 -40.39 77.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.576 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.52 ' C ' ' H ' ' B' ' 66' ' ' ASP . 42.8 m-20 -92.19 32.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.702 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.588 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -58.16 1.16 0.27 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' B' ' 64' ' ' ASN . 24.2 t70 -39.29 -21.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.761 0.315 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 97.79 3.81 58.1 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -169.18 131.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.084 0.469 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.635 HG11 ' HG ' ' B' ' 33' ' ' LEU . 15.4 m -93.7 -172.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.633 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -129.54 153.95 47.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.796 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -48.62 -50.27 33.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.778 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -57.62 -33.75 68.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -75.25 -30.56 60.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.676 ' O ' HG22 ' B' ' 78' ' ' VAL . 16.8 t80 -69.72 -41.55 75.17 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.995 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.02 -27.6 20.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.87 -38.25 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 120.462 -0.495 . . . . 0.0 112.324 -178.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.639 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.7 pp -78.32 -43.89 26.69 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.021 -0.672 . . . . 0.0 111.807 -179.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.676 HG22 ' O ' ' B' ' 74' ' ' TYR . 16.8 m -58.83 -34.81 53.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.231 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.25 -34.29 61.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.565 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.37 -27.21 65.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.578 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -75.46 -31.26 60.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.522 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.8 m -68.29 -55.41 12.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.982 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -52.89 -20.94 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.784 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.82 25.83 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.479 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 19.5 t -146.59 -54.2 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.701 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -52.55 -36.28 55.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.704 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -46.79 -24.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.578 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -56.79 -45.61 82.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.674 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -58.27 -47.13 84.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.693 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -82.22 158.68 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.586 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 50.43 85.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.518 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' B' ' 92' ' ' ASN . 30.8 p30 -137.85 30.57 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.571 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.605 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.435 ' O ' ' OG1' ' A' ' 6' ' ' THR . 70.4 m -97.48 148.06 23.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.735 0.302 . . . . 0.0 110.661 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -64.12 -40.46 96.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -60.95 -48.63 80.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.063 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.46 -32.1 73.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.408 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 2' ' ' SER . 23.1 m -69.36 -35.01 75.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.647 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.54 -47.65 75.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 57.5 mmm -66.54 -34.61 78.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 13.2 tt0 -56.23 -36.27 68.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.632 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.0 m -58.56 -43.02 89.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -59.04 -31.36 68.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.48 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.5 mm -71.12 -43.56 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 35.2 m-80 -60.03 -55.65 31.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.4 p -60.94 -38.93 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.694 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.456 ' N ' HG13 ' A' ' 14' ' ' VAL . 85.1 t80 -57.8 -38.89 76.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.776 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -83.71 -17.96 39.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.12 61.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.794 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.634 ' CD2' HD13 ' A' ' 36' ' ' LEU . 63.4 m-70 -86.26 -10.49 54.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.1 m -76.38 4.26 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.55 -9.63 59.94 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -71.73 -65.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.713 0.292 . . . . 0.0 110.47 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -139.02 66.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.475 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -167.2 -178.79 39.75 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -97.78 -70.07 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.897 0.38 . . . . 0.0 110.612 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -144.87 -64.55 0.34 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -95.64 14.97 21.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -109.65 138.26 46.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -138.56 124.73 20.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.907 0.384 . . . . 0.0 110.255 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.6 p -67.6 147.28 52.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.426 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' A' ' 61' ' ' LEU . 1.2 tppp? -68.81 -38.15 79.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.076 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.708 ' CE ' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.93 -40.0 75.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.426 179.869 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -80.55 -28.4 37.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.981 0.419 . . . . 0.0 110.353 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.712 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.7 tm? -58.93 -55.77 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.757 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.25 -37.18 54.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.868 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -79.19 -27.36 42.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.634 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.9 tp -64.53 -56.32 14.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.707 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -51.67 -48.83 63.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.642 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.1 pt20 -68.46 -25.76 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.298 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.5 m -69.51 -40.61 76.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.281 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -93.71 -26.72 16.89 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.099 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.53 44.89 2.26 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.48 -27.36 66.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.69 -51.58 7.07 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.537 ' C ' ' H ' ' A' ' 46' ' ' ASP . 6.8 m-85 -45.99 -64.29 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.627 0.251 . . . . 0.0 110.903 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.599 HD12 ' C ' ' A' ' 45' ' ' LEU . 3.6 pp -52.93 -4.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.105 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 44' ' ' PHE . 10.9 t0 -101.28 -23.17 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.693 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.77 -3.11 33.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.21 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.3 pp0? -97.11 128.35 43.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.663 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -99.43 -2.31 36.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.562 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.498 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 90.1 m-20 -71.43 104.31 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.598 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.8 t -76.92 -31.25 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.569 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.87 -37.37 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.646 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.5 -51.56 68.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.701 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.63 -32.32 57.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -56.48 -43.96 80.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -65.54 -36.6 84.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.595 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.9 t -75.79 -30.69 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.1 ttm -72.69 -50.77 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.332 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -63.68 -31.57 72.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.461 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -54.97 -35.95 64.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.598 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.576 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 40.8 mt -61.38 -35.61 77.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.48 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -74.17 -27.53 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.654 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -78.34 -40.96 34.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.367 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.53 ' C ' ' HZ2' ' A' ' 30' ' ' LYS . 29.5 m120 -96.2 34.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.556 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.18 9.09 4.35 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' A' ' 64' ' ' ASN . 48.0 t0 -45.02 -23.8 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.482 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' HA2' ' NZ ' ' A' ' 31' ' ' LYS . . . 109.85 -15.3 31.49 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -149.62 131.77 15.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.905 0.383 . . . . 0.0 110.489 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 m -92.88 -171.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.88 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -124.8 151.6 44.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.167 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -52.02 -47.4 65.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.655 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.94 -33.75 69.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.676 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -75.55 -30.9 59.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.257 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.678 ' O ' HG13 ' A' ' 78' ' ' VAL . 27.9 t80 -70.07 -39.13 75.8 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.204 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.21 -28.13 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.64 -40.41 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -78.31 -35.83 47.3 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.106 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 74' ' ' TYR . 28.9 m -58.61 -39.54 76.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.491 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -74.25 -39.74 62.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.742 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.78 -28.24 3.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.0 mt -75.39 -35.58 61.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.0 m -67.72 -54.67 17.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.79 -17.09 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.644 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.88 26.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.9 t -148.83 -54.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.589 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -53.91 -40.25 66.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -53.49 -21.17 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -55.23 -42.49 73.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.684 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -56.14 -48.48 76.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.626 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -89.64 123.52 33.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.55 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.456 ' OE2' ' OG ' ' A' ' 93' ' ' SER . 83.6 tt0 -153.25 139.29 18.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.514 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.05 47.44 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.589 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.456 ' OG ' ' OE2' ' A' ' 91' ' ' GLU . 54.7 p . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.51 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -97.49 148.11 23.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.528 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -64.27 -40.44 95.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.635 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.5 OUTLIER -60.75 -48.68 80.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.228 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.51 -32.09 73.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.414 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.3 m -69.37 -34.91 75.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.634 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.61 -47.62 76.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 57.6 mmm -66.61 -34.62 78.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.385 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 13.1 tt0 -56.19 -36.27 68.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.64 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.0 m -58.56 -42.92 89.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.701 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.591 HD22 ' N ' ' B' ' 11' ' ' LEU . 3.8 mm? -59.14 -31.28 68.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.446 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.7 mm -71.31 -43.59 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.735 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 34.7 m-80 -59.84 -55.59 32.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.449 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.5 p -61.14 -38.74 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.744 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.449 ' N ' HG13 ' B' ' 14' ' ' VAL . 84.9 t80 -57.83 -39.05 76.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.716 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -83.67 -17.89 39.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.707 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.06 61.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.632 ' CD2' HD13 ' B' ' 36' ' ' LEU . 63.0 m-70 -86.41 -10.4 54.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.835 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.4 m -76.37 4.23 9.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.654 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.62 -9.64 59.85 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -71.63 -65.13 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.715 0.293 . . . . 0.0 110.603 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -139.13 66.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -167.2 -178.93 39.85 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -97.78 -70.01 0.74 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.794 0.331 . . . . 0.0 110.598 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -144.84 -64.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.574 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -95.72 15.09 21.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -109.82 138.17 46.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.391 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -138.49 124.72 20.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.958 0.408 . . . . 0.0 110.279 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -67.65 147.45 52.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.439 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.624 ' HZ2' ' C ' ' B' ' 64' ' ' ASN . 1.2 tppp? -68.96 -38.09 79.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.046 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.71 ' H ' ' CE ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.86 -40.06 75.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 179.82 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.55 -28.37 37.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.335 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.713 HD13 ' C ' ' B' ' 33' ' ' LEU . 2.7 tm? -59.01 -55.75 31.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.696 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.33 -37.2 55.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.847 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -79.04 -27.47 43.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.632 HD13 ' CD2' ' B' ' 18' ' ' HIS . 21.1 tp -64.46 -56.28 15.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.862 -179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.699 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.2 pp -51.67 -49.0 63.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.527 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.699 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.1 pt20 -68.32 -25.78 65.29 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.232 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.7 m -69.53 -40.64 76.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.293 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -93.62 -26.74 16.95 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.15 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.53 44.88 2.26 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 110.477 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -27.3 65.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.8 -51.4 7.12 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.538 ' C ' ' H ' ' B' ' 46' ' ' ASP . 6.7 m-85 -46.1 -64.19 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.924 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.606 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.6 pp -53.08 -4.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.995 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.538 ' H ' ' C ' ' B' ' 44' ' ' PHE . 10.9 t0 -101.39 -23.14 14.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.636 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.8 -3.03 33.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.145 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.3 pp0? -97.08 128.29 43.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 110.686 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -99.39 -2.26 36.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.5 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 90.1 m-20 -71.58 104.41 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.6 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.89 -31.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.62 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -71.82 -37.29 70.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.62 -51.44 69.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.668 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.75 -32.28 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.42 -44.13 80.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -65.49 -36.58 84.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.586 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.8 t -75.82 -30.63 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.2 ttm -72.65 -50.76 22.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -63.75 -31.6 72.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.458 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -54.85 -36.03 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.595 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.578 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 40.9 mt -61.39 -35.56 77.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -74.24 -27.46 60.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.625 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -78.32 -40.97 35.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.34 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.624 ' C ' ' HZ2' ' B' ' 30' ' ' LYS . 29.6 m120 -96.2 34.53 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.17 8.97 4.43 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' B' ' 64' ' ' ASN . 48.3 t0 -45.19 -23.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.328 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.75 -14.95 31.95 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -149.85 131.61 15.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.925 0.393 . . . . 0.0 110.55 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.402 ' H ' HG22 ' B' ' 69' ' ' VAL . 14.2 m -93.93 -171.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.628 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -124.25 151.63 43.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.229 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.07 -47.43 65.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.603 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.93 -33.72 69.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.72 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -75.62 -30.8 59.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.262 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' TYR . . . . . 0.671 ' O ' HG13 ' B' ' 78' ' ' VAL . 28.1 t80 -70.1 -39.17 75.68 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.265 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.24 -28.09 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.69 -40.35 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.427 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -78.34 -35.79 47.11 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.259 -0.576 . . . . 0.0 112.094 -178.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.671 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.3 m -58.68 -39.43 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.413 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.427 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -74.35 -39.8 62.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.666 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.58 -28.4 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.9 mt -75.26 -35.55 61.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.1 m -67.77 -54.71 17.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.777 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.9 -17.01 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.574 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.8 26.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.623 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 6.8 t -148.78 -54.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -53.9 -40.22 66.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.584 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -53.62 -21.16 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -55.16 -42.54 73.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -56.14 -48.41 76.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.746 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -89.74 123.52 33.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.568 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.457 ' OE2' ' OG ' ' B' ' 93' ' ' SER . 83.5 tt0 -153.15 139.18 18.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.565 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.96 47.45 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.457 ' OG ' ' OE2' ' B' ' 91' ' ' GLU . 54.8 p . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.598 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.722 0.296 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.79 -36.63 79.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.528 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.598 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -60.01 -48.6 81.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -71.5 -31.76 67.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.571 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.6 m -69.39 -35.04 75.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.41 -44.66 76.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.492 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.2 mmm -68.47 -35.85 78.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.26 -34.88 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.665 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.1 m -61.63 -36.8 81.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.631 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.5 mm? -65.55 -31.4 72.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.415 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.8 mm -70.16 -44.78 77.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.924 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -59.95 -55.78 29.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.7 p -58.93 -43.67 89.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.74 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.521 ' N ' HG13 ' A' ' 14' ' ' VAL . 84.4 t80 -59.38 -36.91 76.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.676 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 19' ' ' SER . 3.0 t-80 -70.98 -59.51 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.762 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.48 -34.46 0.84 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.872 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.546 ' CD2' HD13 ' A' ' 36' ' ' LEU . 50.9 m-70 -87.54 -21.16 25.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 16' ' ' HIS . 51.6 m -72.53 -8.38 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.567 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.38 -2.13 89.16 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -65.32 -110.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.435 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -79.83 -29.89 40.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.478 ' O ' ' OD1' ' A' ' 24' ' ' ASP . . . -68.69 -144.32 0.13 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' A' ' 23' ' ' GLY . 97.0 m-20 -140.02 -61.85 0.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.751 0.31 . . . . 0.0 110.575 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -139.84 -64.65 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.46 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -97.54 1.88 49.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.405 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -99.82 139.59 35.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.678 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.575 ' N ' ' OE2' ' A' ' 68' ' ' GLU . 37.1 tp -150.29 126.47 10.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.391 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.1 p -70.97 147.0 49.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.593 ' HZ3' HD23 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -65.58 -37.47 86.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.386 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -56.91 -39.91 75.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.637 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -80.28 -40.9 25.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.789 HD23 ' O ' ' A' ' 33' ' ' LEU . 2.7 tt -65.29 -34.5 78.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.709 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -52.14 -44.51 64.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.565 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -79.62 -27.56 41.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.169 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.546 HD13 ' CD2' ' A' ' 18' ' ' HIS . 45.1 tp -58.55 -56.35 23.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.759 -179.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.0 pp -50.82 -47.43 60.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.572 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.653 ' N ' HD12 ' A' ' 37' ' ' LEU . 14.6 pt20 -76.39 -25.44 54.55 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.314 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.6 m -66.82 -39.47 87.71 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.337 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.585 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 2.8 mp0 -91.05 -26.89 18.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.013 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.54 43.7 2.01 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.825 0.345 . . . . 0.0 110.192 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.421 ' HA ' HD21 ' A' ' 45' ' ' LEU . 59.9 p -68.26 -27.36 66.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.79 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.97 -49.38 16.95 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.521 ' C ' ' H ' ' A' ' 46' ' ' ASP . 11.6 m-85 -49.36 -61.62 1.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.698 0.285 . . . . 0.0 110.734 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.555 ' C ' HD12 ' A' ' 45' ' ' LEU . 3.9 pp -55.06 -4.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.683 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.521 ' H ' ' C ' ' A' ' 44' ' ' PHE . 14.0 t0 -104.29 -20.21 13.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.556 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.04 -2.94 26.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.88 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.582 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 2.1 pp0? -96.65 129.5 44.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.852 0.358 . . . . 0.0 110.637 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -94.13 -15.38 24.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.477 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.582 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 65.3 m-20 -64.92 101.86 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.643 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.4 t -75.44 -31.7 24.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -71.95 -36.07 69.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.658 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.22 -51.35 69.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.653 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.22 -34.01 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.59 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.7 -42.52 93.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -62.64 -41.98 99.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.64 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -72.4 -30.47 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.761 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.9 ttt -70.86 -51.43 26.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.334 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -66.59 -31.65 72.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.619 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -52.87 -30.79 35.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.466 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.593 HD23 ' HZ3' ' A' ' 30' ' ' LYS . 95.8 mt -64.07 -39.94 95.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -69.76 -27.39 64.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -68.01 -40.99 82.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.532 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.533 ' C ' ' H ' ' A' ' 66' ' ' ASP . 70.3 m-80 -103.69 30.99 4.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.538 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -59.93 2.84 0.35 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' A' ' 64' ' ' ASN . 21.9 t70 -37.78 -24.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 110.41 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 108.01 -3.5 33.63 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.575 ' OE2' ' N ' ' A' ' 28' ' ' LEU . 6.9 tp10 -153.2 132.03 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.413 . . . . 0.0 110.814 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.571 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.69 -153.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.81 179.582 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.571 ' H ' HG12 ' A' ' 69' ' ' VAL . 59.3 t0 -148.71 140.56 23.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.028 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -48.49 -49.23 36.65 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.452 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -52.6 -36.12 55.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.232 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -75.74 -30.68 59.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.704 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.685 ' O ' HG13 ' A' ' 78' ' ' VAL . 21.7 t80 -64.21 -40.04 95.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.843 0.354 . . . . 0.0 110.759 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.9 -30.64 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.237 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.47 -38.36 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.8 pp -78.59 -35.57 45.58 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.114 -0.635 . . . . 0.0 111.847 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 74' ' ' TYR . 29.7 m -60.38 -40.21 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.261 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.45 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -74.72 -41.5 60.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.622 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.02 -29.02 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.686 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.6 mt -75.19 -39.21 60.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.726 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.432 HG22 ' OD1' ' A' ' 86' ' ' ASN . 80.4 m -64.68 -54.65 28.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.747 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.424 ' C ' ' H ' ' A' ' 85' ' ' CYS . 11.1 p -57.37 -25.79 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.546 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.87 20.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.557 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.424 ' H ' ' C ' ' A' ' 83' ' ' VAL . 40.8 t -141.99 -42.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.432 ' OD1' HG22 ' A' ' 82' ' ' THR . 34.7 m120 -53.07 -31.62 42.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.663 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -46.72 -28.68 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.586 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.3 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.607 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.729 0.299 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.83 -36.67 79.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.598 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -59.91 -48.6 81.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.39 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -71.51 -31.73 67.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.529 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 32.6 m -69.39 -35.15 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.726 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.19 -44.67 75.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.606 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 66.2 mmm -68.57 -35.94 78.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.483 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.22 -34.94 64.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.625 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.5 m -61.55 -36.85 81.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.638 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.5 mm? -65.48 -31.46 72.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.431 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 14.7 mm -70.21 -44.68 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.929 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -60.2 -55.55 32.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.528 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.7 p -59.03 -43.57 89.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.764 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.528 ' N ' HG13 ' B' ' 14' ' ' VAL . 84.6 t80 -59.16 -37.15 76.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.772 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.532 ' O ' ' N ' ' B' ' 19' ' ' SER . 3.0 t-80 -71.02 -59.58 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.633 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.33 -34.55 0.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.925 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.553 ' CD2' HD13 ' B' ' 36' ' ' LEU . 50.7 m-70 -87.49 -21.17 25.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.779 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.532 ' N ' ' O ' ' B' ' 16' ' ' HIS . 51.9 m -72.61 -8.39 55.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.487 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.23 -2.18 89.32 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -65.27 -110.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.557 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -79.76 -30.0 40.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.415 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.477 ' O ' ' OD1' ' B' ' 24' ' ' ASP . . . -68.73 -144.2 0.13 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.477 ' OD1' ' O ' ' B' ' 23' ' ' GLY . 97.0 m-20 -140.01 -61.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.359 . . . . 0.0 110.485 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -139.8 -64.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -97.6 2.01 49.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.371 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -99.88 139.62 35.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.65 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.585 ' N ' ' OE2' ' B' ' 68' ' ' GLU . 36.4 tp -150.32 126.4 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.422 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.8 p -71.0 146.79 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.972 0.415 . . . . 0.0 111.02 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.622 ' HZ3' HD23 ' B' ' 61' ' ' LEU . 0.5 OUTLIER -65.41 -37.37 86.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.458 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -57.07 -39.8 75.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.649 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -80.28 -40.9 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.78 HD23 ' O ' ' B' ' 33' ' ' LEU . 2.7 tt -65.31 -34.54 78.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.65 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -52.05 -44.59 64.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.526 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -79.64 -27.38 40.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.257 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.553 HD13 ' CD2' ' B' ' 18' ' ' HIS . 45.4 tp -58.71 -56.36 23.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.744 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.65 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.0 pp -50.68 -47.6 58.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.594 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.65 ' N ' HD12 ' B' ' 37' ' ' LEU . 14.6 pt20 -76.29 -25.44 54.86 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.383 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 33.1 m -66.7 -39.71 88.18 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.336 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.588 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 2.7 mp0 -90.99 -26.79 19.05 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.008 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.62 43.67 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.209 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.415 ' HA ' HD21 ' B' ' 45' ' ' LEU . 60.1 p -68.28 -27.45 66.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.76 -49.52 17.58 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.517 ' C ' ' H ' ' B' ' 46' ' ' ASP . 11.5 m-85 -49.35 -61.58 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.675 0.274 . . . . 0.0 110.723 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.562 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.9 pp -55.15 -4.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.678 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' B' ' 44' ' ' PHE . 14.0 t0 -104.25 -20.3 13.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.638 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.86 -3.11 26.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.581 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 2.1 pp0? -96.57 129.34 43.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.637 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -94.06 -15.41 24.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.581 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 65.6 m-20 -65.01 102.04 0.57 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.452 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 96.4 t -75.36 -31.9 24.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.5 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -71.87 -35.93 69.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.669 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.39 -51.4 69.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.619 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.15 -34.12 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.571 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.57 -42.63 92.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.551 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -62.52 -42.0 99.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.654 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 62.0 t -72.5 -30.47 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.592 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.9 ttt -70.87 -51.33 27.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.43 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -66.57 -31.7 72.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.563 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -52.78 -30.87 35.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.387 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.622 HD23 ' HZ3' ' B' ' 30' ' ' LYS . 95.8 mt -64.17 -39.82 94.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.612 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -69.81 -27.45 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.639 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -67.96 -40.98 83.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.524 ' C ' ' H ' ' B' ' 66' ' ' ASP . 70.3 m-80 -103.72 31.03 4.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.53 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.574 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -60.05 2.99 0.35 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.524 ' H ' ' C ' ' B' ' 64' ' ' ASN . 21.7 t70 -37.79 -24.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.467 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 107.89 -3.16 33.79 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.585 ' OE2' ' N ' ' B' ' 28' ' ' LEU . 7.0 tp10 -153.29 132.06 12.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.378 . . . . 0.0 110.69 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.568 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.7 OUTLIER -93.81 -153.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.558 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.568 ' H ' HG12 ' B' ' 69' ' ' VAL . 59.5 t0 -149.25 140.64 23.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.877 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -48.54 -49.24 37.09 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.413 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -52.51 -36.23 54.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.257 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -75.6 -30.79 59.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.689 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.677 ' O ' HG13 ' B' ' 78' ' ' VAL . 21.7 t80 -64.19 -40.08 95.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.798 0.332 . . . . 0.0 110.781 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.84 -30.58 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.64 -38.3 30.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.415 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.8 pp -78.54 -35.6 45.91 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.921 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.677 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.3 m -60.32 -40.23 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.348 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.45 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -74.75 -41.31 60.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.734 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.16 -28.94 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.62 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 77.4 mt -75.2 -39.24 60.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.72 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.436 HG22 ' OD1' ' B' ' 86' ' ' ASN . 81.4 m -64.69 -54.74 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.643 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.432 ' C ' ' H ' ' B' ' 85' ' ' CYS . 11.2 p -57.33 -25.78 24.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.84 20.74 0.23 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.432 ' H ' ' C ' ' B' ' 83' ' ' VAL . 41.1 t -141.89 -42.86 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.436 ' OD1' HG22 ' B' ' 82' ' ' THR . 34.7 m120 -52.97 -31.65 41.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.635 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -46.62 -28.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.497 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.3 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.485 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.807 0.337 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -52.19 -31.07 30.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -71.36 -48.54 49.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.407 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.98 -35.25 80.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.59 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.8 p -69.36 -34.78 75.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.698 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.04 -37.04 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.69 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.0 mmm -75.58 -38.47 59.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.457 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -54.64 -35.34 63.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.671 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.1 m -58.89 -41.04 86.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.752 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.613 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -63.31 -31.3 72.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.483 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.42 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 15.2 mm -70.89 -38.67 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -59.78 -55.06 38.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.779 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.65 -37.25 75.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.52 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -60.73 -46.08 91.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.56 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -77.35 -18.07 57.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.678 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.74 -35.76 65.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.697 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.58 ' CD2' HD13 ' A' ' 36' ' ' LEU . 45.9 m-70 -92.55 -13.33 29.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.6 m -74.77 3.65 7.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.56 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.63 3.74 71.79 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -82.31 -75.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.61 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -112.63 -42.9 3.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.623 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.63 165.53 3.87 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -86.06 -59.37 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.627 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -145.17 -69.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.446 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.517 ' CZ ' HG23 ' B' ' 83' ' ' VAL . 0.1 OUTLIER -90.27 -3.58 57.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.127 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -92.13 146.59 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.623 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.7 tp -144.04 122.11 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.454 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -62.96 147.87 49.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' HZ3' ' HB3' ' A' ' 61' ' ' LEU . 26.4 tptp -68.2 -40.57 82.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.415 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.488 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.85 -37.14 70.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.849 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -81.51 -31.68 32.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.545 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.783 HD23 ' O ' ' A' ' 33' ' ' LEU . 2.6 tt -72.13 -39.14 69.02 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.819 0.304 . . . . 0.0 111.819 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 10.4 ptmm? -51.34 -40.54 59.31 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.841 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' O ' ' OG1' ' A' ' 39' ' ' THR . 91.2 mt-10 -79.66 -31.97 41.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.58 HD13 ' CD2' ' A' ' 18' ' ' HIS . 31.0 tp -55.58 -56.2 23.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.924 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.0 pp -50.47 -48.21 56.76 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.016 -0.273 . . . . 0.0 111.545 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.659 ' N ' HD12 ' A' ' 37' ' ' LEU . 20.5 pt20 -75.22 -25.68 58.35 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.066 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 57.3 m -65.76 -38.48 89.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.062 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.5 ' C ' HD12 ' A' ' 41' ' ' LEU . 63.6 mm-40 -92.17 -26.71 18.1 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.069 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.3 mp -114.69 45.01 1.64 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -68.41 -27.42 66.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.32 -52.46 5.6 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.529 ' C ' ' H ' ' A' ' 46' ' ' ASP . 12.9 m-85 -46.93 -63.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.656 0.265 . . . . 0.0 110.864 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.489 ' C ' HD12 ' A' ' 45' ' ' LEU . 3.8 pp -53.79 -4.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.718 0.294 . . . . 0.0 110.9 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' A' ' 44' ' ' PHE . 5.4 t70 -105.61 -20.84 13.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.791 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.94 -2.96 33.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.956 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.0 pp0? -93.16 139.19 30.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 110.773 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -103.48 -12.15 17.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.491 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.507 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 83.9 m-20 -71.31 98.16 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.96 -27.68 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.568 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -73.5 -37.29 65.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.707 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.81 -51.41 68.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.681 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.3 p -66.0 -32.27 57.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.48 -47.68 81.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -62.13 -37.21 84.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.63 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -76.37 -30.6 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.83 -51.6 21.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -63.2 -31.82 73.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.486 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' OE2' ' ND2' ' A' ' 64' ' ' ASN . 44.5 tp10 -53.15 -33.69 53.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.616 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.443 ' HB3' ' HZ3' ' A' ' 30' ' ' LYS . 59.5 mt -62.16 -36.24 81.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.654 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -74.71 -27.86 60.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -78.15 -41.23 35.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.767 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.52 ' C ' ' H ' ' A' ' 66' ' ' ASP . 32.1 m-80 -88.97 24.26 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.62 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.13 24.25 0.71 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 64' ' ' ASN . 52.8 m-20 -58.94 -44.81 91.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.804 0.335 . . . . 0.0 110.628 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.0 -27.12 2.31 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -146.75 132.35 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 110.427 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.515 HG21 HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -92.43 -154.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.103 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.503 ' H ' HG12 ' A' ' 69' ' ' VAL . 49.8 t0 -143.29 138.87 29.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.044 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.42 ' CZ ' ' CD1' ' A' ' 12' ' ' ILE . 33.3 t80 -48.73 -48.03 40.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 110.646 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -51.77 -35.69 44.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.477 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.87 -30.88 59.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.691 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.7 ' O ' HG13 ' A' ' 78' ' ' VAL . 28.7 t80 -64.37 -39.27 93.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.971 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -75.74 -30.99 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.64 -39.12 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.8 pp -78.31 -35.09 48.23 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.983 -178.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 74' ' ' TYR . 28.7 m -60.96 -42.88 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.44 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.479 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -72.98 -39.31 66.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.8 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.36 -27.9 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.366 . . . . 0.0 110.68 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -75.31 -37.43 60.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.8 m -64.91 -54.76 25.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.52 HG23 ' CZ ' ' B' ' 26' ' ' TYR . 3.6 p -49.78 -38.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.707 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.16 -13.49 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.693 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.9 t -97.05 -50.97 4.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.731 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.501 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 0.7 OUTLIER -47.03 -39.35 12.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.64 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -47.22 -24.31 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.599 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.7 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.84 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.789 0.328 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -52.33 -30.83 30.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.672 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.61 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -71.45 -48.37 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.498 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.28 -35.2 80.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 40.6 p -69.37 -34.67 74.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -37.05 66.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.671 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.8 mmm -75.52 -38.51 59.34 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.532 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -54.58 -35.34 63.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.678 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.3 m -58.89 -40.98 86.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.615 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.7 mm? -63.29 -31.38 72.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.474 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.429 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 15.1 mm -70.81 -38.68 73.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -59.88 -55.08 38.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.746 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.57 -37.2 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.676 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -60.77 -46.06 91.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.487 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -77.46 -17.96 57.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.621 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.82 -35.79 64.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.573 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.589 ' CD2' HD13 ' B' ' 36' ' ' LEU . 46.0 m-70 -92.64 -13.17 29.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.637 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 48.2 m -74.83 3.7 7.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.621 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.6 3.73 71.89 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -82.3 -75.26 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.842 0.354 . . . . 0.0 110.683 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -112.71 -42.83 3.54 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.645 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 165.6 3.9 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -86.07 -59.37 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.738 0.304 . . . . 0.0 110.625 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -145.22 -69.62 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.447 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.52 ' CZ ' HG23 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -90.23 -3.54 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.099 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -92.2 146.53 23.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.517 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 tp -144.02 122.16 12.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -62.89 147.94 48.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.433 ' HZ3' HD22 ' B' ' 61' ' ' LEU . 26.3 tptp -68.19 -40.55 82.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.458 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.479 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.82 -37.31 71.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.614 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -81.39 -31.59 33.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.655 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.766 HD23 ' O ' ' B' ' 33' ' ' LEU . 2.6 tt -72.24 -38.96 68.8 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.443 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 10.3 ptmm? -51.42 -40.48 59.43 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.791 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 91.0 mt-10 -79.83 -31.84 40.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.051 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' B' ' 18' ' ' HIS . 31.9 tp -55.45 -56.3 21.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.888 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.658 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.0 pp -50.55 -48.26 57.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.449 -178.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.658 ' N ' HD12 ' B' ' 37' ' ' LEU . 20.5 pt20 -75.12 -25.71 58.66 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.14 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 56.1 m -65.65 -38.54 89.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.09 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.502 ' C ' HD12 ' B' ' 41' ' ' LEU . 63.5 mm-40 -92.13 -26.84 18.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.092 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.506 ' N ' HD12 ' B' ' 41' ' ' LEU . 8.3 mp -114.65 45.11 1.62 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.393 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -68.33 -27.54 66.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.34 -52.27 5.69 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.532 ' C ' ' H ' ' B' ' 46' ' ' ASP . 13.1 m-85 -47.0 -63.88 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.733 0.302 . . . . 0.0 110.91 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.491 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.8 pp -53.95 -4.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.843 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.532 ' H ' ' C ' ' B' ' 44' ' ' PHE . 5.4 t70 -105.63 -20.94 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.684 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.97 -2.84 33.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.039 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.492 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 2.9 pp0? -93.34 139.33 30.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 110.78 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -103.56 -12.26 17.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.483 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.492 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 83.4 m-20 -71.11 98.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.675 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.7 t -71.13 -27.44 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.539 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -73.69 -37.4 65.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.628 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.5 -51.7 67.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.663 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.85 -32.25 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.59 -47.52 81.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.57 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -62.31 -37.25 84.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.505 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 75.6 t -76.19 -30.68 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.64 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.6 ttt -71.86 -51.42 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.461 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -63.3 -31.66 72.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.6 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.42 ' OE2' ' ND2' ' B' ' 64' ' ' ASN . 44.6 tp10 -53.31 -33.69 54.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.433 HD22 ' HZ3' ' B' ' 30' ' ' LYS . 59.2 mt -62.07 -36.39 81.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.542 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -74.74 -27.7 60.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.81 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -78.34 -41.02 34.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.746 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.527 ' C ' ' H ' ' B' ' 66' ' ' ASP . 32.1 m-80 -89.03 24.27 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.576 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.12 24.2 0.71 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' B' ' 64' ' ' ASN . 53.0 m-20 -58.88 -44.75 91.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.677 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 141.76 -26.71 2.37 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -146.85 132.26 18.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.302 . . . . 0.0 110.469 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.528 HG21 HD13 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -93.47 -154.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.018 0.437 . . . . 0.0 110.829 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.505 ' H ' HG12 ' B' ' 69' ' ' VAL . 49.6 t0 -143.07 138.89 30.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.121 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.429 ' CZ ' ' CD1' ' B' ' 12' ' ' ILE . 33.4 t80 -48.61 -48.15 39.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.614 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -51.71 -35.83 44.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.402 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -75.76 -30.95 59.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.703 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.68 ' O ' HG13 ' B' ' 78' ' ' VAL . 28.7 t80 -64.31 -39.3 93.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.948 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.3 m -75.77 -30.95 21.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.66 -39.17 31.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.404 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.8 pp -78.44 -35.02 47.4 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.106 -0.637 . . . . 0.0 111.919 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.68 HG13 ' O ' ' B' ' 74' ' ' TYR . 28.4 m -60.94 -42.89 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.499 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.48 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -73.06 -39.29 66.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.37 -27.78 2.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.683 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -75.43 -37.36 60.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.698 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 86.0 m -64.94 -54.75 25.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.776 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.517 HG23 ' CZ ' ' A' ' 26' ' ' TYR . 3.6 p -49.78 -38.59 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.733 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.97 -13.5 46.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.808 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.9 t -97.05 -50.97 4.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.763 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.509 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 0.7 OUTLIER -47.19 -39.2 13.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.682 -179.776 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -47.2 -24.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.503 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.354 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.853 0.358 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.02 -41.51 98.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.616 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.793 ' C ' HD13 ' A' ' 4' ' ' LEU . 2.9 tm? -60.09 -48.56 81.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.223 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.77 -36.3 80.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.8 m -64.86 -34.98 79.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.479 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.45 -46.72 76.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.652 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.9 mmm -64.02 -41.13 97.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.517 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 22.8 tt0 -53.81 -35.16 61.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.418 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m -59.24 -47.03 86.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.601 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 11' ' ' LEU . 4.0 mm? -53.0 -31.31 40.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.416 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -71.01 -43.57 76.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.7 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 5.1 m-80 -59.99 -55.67 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.906 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 15' ' ' PHE . 13.4 p -59.33 -40.78 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.617 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.48 ' N ' HG13 ' A' ' 14' ' ' VAL . 79.0 t80 -63.26 -42.48 99.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.664 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -76.56 -20.76 56.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.772 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.77 -43.34 55.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.783 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.472 ' CG ' HD13 ' A' ' 36' ' ' LEU . 45.2 m-70 -85.59 -9.15 57.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.825 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 41.0 m -72.42 -20.98 61.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.702 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.9 -14.73 61.43 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -58.58 -108.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.759 0.314 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -78.15 -36.87 47.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.671 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.95 174.19 46.89 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.536 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 20.4 p-10 -86.19 -68.03 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.747 0.308 . . . . 0.0 110.624 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 51.2 mttm -148.17 -50.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.02 -17.27 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.177 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -90.04 143.03 27.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.63 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -140.78 122.98 15.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.411 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.0 p -75.16 144.7 42.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -67.99 -29.53 68.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.419 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -56.55 -44.42 80.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.913 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -80.42 -28.69 37.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.944 0.402 . . . . 0.0 110.614 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.671 ' O ' HD13 ' A' ' 33' ' ' LEU . 2.5 tm? -53.42 -51.14 63.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.01 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 11.2 ptmm? -51.25 -38.06 50.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.792 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.3 mt-10 -78.79 -27.33 44.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.472 HD13 ' CG ' ' A' ' 18' ' ' HIS . 21.9 tp -65.91 -56.25 12.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.752 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.95 -49.48 63.1 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.394 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.689 ' N ' HD12 ' A' ' 37' ' ' LEU . 15.2 pt20 -67.41 -25.82 66.13 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.722 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 30.0 m -75.74 -35.83 60.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.198 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.55 ' C ' HD12 ' A' ' 41' ' ' LEU . 65.8 mm-40 -93.91 -26.85 16.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.355 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.55 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.7 mp -118.44 45.97 1.91 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.854 0.359 . . . . 0.0 110.522 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -68.12 -27.54 66.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.37 -53.44 5.57 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -45.16 -66.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.628 0.251 . . . . 0.0 110.814 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 pp -52.33 -16.71 0.91 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.127 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -80.36 -48.16 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 110.608 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.98 39.24 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.494 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.481 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -102.26 134.59 45.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.653 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -108.95 -6.2 15.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -91.8 104.43 16.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.57 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -80.4 -28.77 11.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.634 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -74.52 -37.48 63.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.735 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.84 -51.19 67.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.691 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 55' ' ' ASP . 15.0 p -64.54 -36.84 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.691 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.414 ' N ' HG13 ' A' ' 54' ' ' VAL . 46.7 t0 -56.95 -47.14 81.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.604 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.56 -37.66 88.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.532 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.68 -30.45 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ttm -70.21 -51.53 30.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.09 -31.68 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.442 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -54.41 -34.43 61.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.99 -36.9 75.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -74.67 -27.88 60.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -69.14 -41.35 77.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.563 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -100.58 33.04 2.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.517 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.51 18.52 4.51 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -51.6 -44.79 62.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 110.436 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.94 -16.54 3.25 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -142.94 132.89 24.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.983 0.421 . . . . 0.0 110.384 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -92.43 -154.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.197 -179.431 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.577 ' H ' HG12 ' A' ' 69' ' ' VAL . 62.6 m-20 -153.09 142.92 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.034 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -48.51 -52.95 19.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.743 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -56.08 -33.34 64.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.695 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.409 ' O ' HD23 ' A' ' 77' ' ' LEU . 72.1 mm-40 -75.72 -30.8 59.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.184 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.559 ' O ' HG13 ' A' ' 78' ' ' VAL . 23.1 t80 -72.1 -40.78 67.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.935 0.398 . . . . 0.0 111.125 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.0 m -74.88 -27.8 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.9 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.26 -39.51 35.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -78.32 -34.68 48.46 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.995 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.8 m -62.44 -43.94 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.417 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.494 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -71.03 -35.85 72.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.811 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.04 -31.65 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.58 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.66 -30.9 59.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.546 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.0 m -69.84 -55.74 8.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.9 p -58.44 -31.05 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.746 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.14 -22.54 66.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.594 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -94.36 -39.31 10.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -54.85 -41.39 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.718 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -47.68 -24.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.631 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 t80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.781 0.324 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.11 -41.43 98.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.791 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.9 tm? -60.09 -48.69 80.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.167 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.68 -36.43 80.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.501 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 25.4 m -64.74 -35.0 79.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.509 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.5 -46.74 76.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.6 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 51.5 mmm -64.02 -41.09 97.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.462 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.519 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 23.0 tt0 -53.76 -35.16 60.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.507 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.0 m -59.29 -46.89 87.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.683 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.55 ' N ' HD22 ' B' ' 11' ' ' LEU . 4.0 mm? -53.05 -31.31 40.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.466 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 mm -71.0 -43.64 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.7 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 5.1 m-80 -59.97 -55.66 31.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.486 HG13 ' N ' ' B' ' 15' ' ' PHE . 13.4 p -59.29 -40.77 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.689 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.486 ' N ' HG13 ' B' ' 14' ' ' VAL . 78.9 t80 -63.37 -42.33 98.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.651 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -76.53 -20.82 56.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.766 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.72 -43.33 55.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.804 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.46 ' CG ' HD13 ' B' ' 36' ' ' LEU . 45.7 m-70 -85.55 -9.09 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.921 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.8 m -72.49 -21.09 61.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.619 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.84 -14.8 61.41 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -58.62 -108.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.682 0.277 . . . . 0.0 110.464 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -78.13 -36.87 47.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.66 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.92 174.27 46.7 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.534 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 20.0 p-10 -86.19 -68.07 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.33 . . . . 0.0 110.562 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.534 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 51.1 mttm -148.16 -50.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.621 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.03 -17.31 22.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.195 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -89.89 143.05 27.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.741 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.3 tp -140.82 123.02 15.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.9 p -75.25 144.84 42.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.004 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -68.12 -29.54 68.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.328 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -56.46 -44.62 80.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.837 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -80.46 -28.41 37.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.915 0.388 . . . . 0.0 110.69 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.668 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.5 tm? -53.5 -51.29 63.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.913 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 11.2 ptmm? -51.22 -37.99 49.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.745 0.307 . . . . 0.0 110.692 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.421 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 96.3 mt-10 -78.89 -27.23 43.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.736 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.46 HD13 ' CG ' ' B' ' 18' ' ' HIS . 21.9 tp -66.04 -56.1 13.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.757 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.693 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -52.14 -49.45 63.68 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.419 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.693 ' N ' HD12 ' B' ' 37' ' ' LEU . 15.2 pt20 -67.42 -25.62 66.02 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.824 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 29.5 m -75.83 -35.87 59.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.561 ' C ' HD12 ' B' ' 41' ' ' LEU . 65.7 mm-40 -93.85 -26.83 16.75 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.343 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.561 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.7 mp -118.37 45.93 1.91 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.774 0.321 . . . . 0.0 110.415 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 84.7 p -68.37 -27.24 66.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.46 -53.44 5.53 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.344 -0.703 . . . . 0.0 111.344 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -45.3 -66.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.862 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -52.19 -16.9 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.165 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -80.3 -48.21 13.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.675 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.87 39.41 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.449 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.485 ' OE1' ' O ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -102.4 134.57 45.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.568 -179.781 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -108.93 -6.3 15.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.469 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -91.65 104.41 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 68.5 t -80.36 -28.87 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.638 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -74.57 -37.38 62.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.69 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.81 -51.22 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.424 HG13 ' N ' ' B' ' 55' ' ' ASP . 15.0 p -64.63 -36.7 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.693 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.424 ' N ' HG13 ' B' ' 54' ' ' VAL . 46.6 t0 -57.04 -47.05 81.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.62 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -63.56 -37.73 88.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.549 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 87.7 t -74.54 -30.57 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.66 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ttm -70.25 -51.43 30.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -31.66 72.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.543 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -54.46 -34.4 61.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.557 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.02 -36.71 75.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -74.81 -27.8 60.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.629 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.19 -41.48 77.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.392 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -100.4 32.84 2.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.474 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.27 18.4 4.34 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -51.54 -44.76 62.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 139.1 -17.35 3.18 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -141.62 133.28 27.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.565 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -93.58 -154.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.994 -179.457 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.565 ' H ' HG12 ' B' ' 69' ' ' VAL . 62.6 m-20 -153.19 143.05 22.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.036 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -48.61 -53.02 20.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.783 0.325 . . . . 0.0 110.681 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -55.93 -33.46 64.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.771 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.411 ' O ' HD23 ' B' ' 77' ' ' LEU . 72.3 mm-40 -75.75 -30.72 59.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.159 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.562 ' O ' HG13 ' B' ' 78' ' ' VAL . 23.0 t80 -72.13 -40.72 67.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.833 0.349 . . . . 0.0 111.106 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.6 m -74.91 -27.68 20.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.022 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.25 -39.55 35.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.419 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -78.35 -34.64 48.32 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.978 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.562 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.8 m -62.4 -44.13 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.409 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.498 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -70.86 -35.81 72.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.08 -31.67 52.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.586 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -75.51 -31.16 60.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.475 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -69.85 -55.77 8.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.8 p -58.23 -31.18 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.15 -22.46 66.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.618 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -94.29 -39.36 10.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.614 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -54.93 -41.34 70.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.716 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -47.73 -24.38 0.93 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.712 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.834 0.35 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.72 -34.39 74.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.613 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.782 ' C ' HD13 ' A' ' 4' ' ' LEU . 2.9 tm? -56.72 -48.46 77.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.03 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.52 -33.13 74.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.317 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.4 m -67.58 -35.12 78.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.487 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.33 -45.55 80.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.466 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.8 mmm -64.31 -37.12 86.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.371 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -55.31 -38.52 68.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.5 m -57.28 -43.83 83.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.664 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.575 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -57.16 -31.17 65.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.547 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.5 mm -70.58 -41.77 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.732 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -62.02 -55.56 27.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.1 p -62.24 -38.08 80.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.679 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.439 ' N ' HG13 ' A' ' 14' ' ' VAL . 93.2 t80 -61.94 -38.0 86.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.725 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -88.73 -18.05 28.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.777 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.67 -35.53 77.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.779 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.526 ' CD2' HD13 ' A' ' 36' ' ' LEU . 57.1 m-70 -93.59 -7.75 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.755 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.472 ' O ' ' O ' ' A' ' 23' ' ' GLY . 69.7 m -74.41 -10.43 59.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.77 -17.72 79.59 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -55.38 -73.57 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 110.647 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -117.16 -56.37 2.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 19' ' ' SER . . . -52.64 158.93 3.4 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -71.77 -64.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.616 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -145.58 -72.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.435 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -77.47 -5.89 51.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.267 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -94.81 138.69 32.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -143.8 123.83 13.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.264 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.4 p -68.81 142.65 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.499 ' HZ1' ' HB2' ' A' ' 64' ' ' ASN . 33.2 tptt -66.65 -32.49 73.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.478 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -57.54 -42.73 83.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.666 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -80.77 -28.24 36.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.014 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.777 HD13 ' C ' ' A' ' 33' ' ' LEU . 3.2 tm? -60.84 -51.32 69.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.762 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -51.82 -34.76 41.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.636 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -78.65 -27.29 45.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.517 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.526 HD13 ' CD2' ' A' ' 18' ' ' HIS . 19.6 tp -72.43 -56.25 5.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.368 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.712 ' C ' HD12 ' A' ' 37' ' ' LEU . 1.4 pp -50.84 -39.83 54.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.285 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.548 ' N ' HD12 ' A' ' 37' ' ' LEU . 9.6 pt20 -76.97 -25.99 53.41 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.03 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.5 m -75.85 -37.34 59.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.45 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -88.07 -26.98 22.25 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.411 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.33 44.41 2.46 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.847 0.356 . . . . 0.0 110.342 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.492 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 52.0 p -68.43 -27.92 66.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.76 -50.6 10.88 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.406 ' C ' ' H ' ' A' ' 46' ' ' ASP . 19.1 m-85 -49.45 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.587 0.232 . . . . 0.0 110.869 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.82 -8.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.319 . . . . 0.0 110.772 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' OD2' ' O ' ' A' ' 42' ' ' SER . 29.9 m-20 -105.8 -11.4 16.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.589 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.56 -2.97 14.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.571 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.3 pp0? -101.15 133.93 44.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.619 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -94.92 -9.75 33.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.571 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 49.9 m-20 -68.01 102.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.5 t -79.4 -29.74 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -71.36 -36.93 71.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.674 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.16 -51.45 67.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.762 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.1 -31.85 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.695 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -55.18 -48.26 74.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.743 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.55 -36.08 81.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.611 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.5 t -73.75 -30.56 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.685 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.2 ttt -74.3 -51.65 14.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.753 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -62.09 -32.49 73.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.55 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.436 ' OE1' ' C ' ' A' ' 60' ' ' GLU . 13.6 tm-20 -55.66 -33.67 64.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.42 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.9 mt -60.88 -37.44 82.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.562 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.87 -28.64 60.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.684 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -75.9 -40.96 53.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.498 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.499 ' HB2' ' HZ1' ' A' ' 30' ' ' LYS . 2.6 m-80 -94.31 44.33 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.522 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -83.26 7.02 69.2 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' GLY . 51.0 t0 -36.94 -28.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.441 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 111.03 -11.23 29.34 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -144.18 132.21 21.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.978 0.418 . . . . 0.0 110.608 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.605 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.82 -154.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.329 -179.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.605 ' H ' HG12 ' A' ' 69' ' ' VAL . 70.0 m-20 -152.61 142.35 21.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.966 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -49.11 -49.07 43.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.759 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -58.52 -33.62 70.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.435 ' O ' HD23 ' A' ' 77' ' ' LEU . 68.1 mm-40 -73.59 -30.94 63.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.091 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.553 ' O ' HG13 ' A' ' 78' ' ' VAL . 16.1 t80 -69.06 -42.67 75.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.929 0.395 . . . . 0.0 111.132 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.4 m -75.14 -28.0 20.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -39.6 32.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 73' ' ' GLU . 2.5 pp -77.9 -35.04 51.14 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.071 -0.651 . . . . 0.0 111.923 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 74' ' ' TYR . 30.7 m -61.71 -43.33 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.624 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.474 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -68.97 -40.98 78.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.921 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.34 -30.77 19.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.652 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.38 -33.79 61.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.632 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.7 m -68.46 -55.41 11.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.896 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -53.36 -29.68 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.752 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.67 -26.59 67.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.655 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.7 t -91.1 -53.28 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.775 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -48.98 -38.11 22.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.76 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -54.5 -24.5 20.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.694 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.773 -179.909 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.791 0.329 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.71 -34.25 74.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.627 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.788 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.9 tm? -56.84 -48.4 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.32 -33.26 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.466 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 27.6 m -67.62 -35.02 78.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.461 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.4 -45.55 80.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.7 mmm -64.34 -37.12 86.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.312 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -55.26 -38.56 68.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.5 m -57.25 -43.83 83.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.652 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.555 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.8 mm? -57.33 -31.15 65.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.434 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -70.45 -41.89 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -61.89 -55.47 29.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.431 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.2 p -62.31 -38.14 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.695 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.431 ' N ' HG13 ' B' ' 14' ' ' VAL . 93.3 t80 -62.0 -37.87 86.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.719 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -88.91 -17.94 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.763 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.65 -35.53 77.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.711 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.526 ' CD2' HD13 ' B' ' 36' ' ' LEU . 57.5 m-70 -93.68 -7.67 43.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.729 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.46 ' O ' ' O ' ' B' ' 23' ' ' GLY . 68.8 m -74.49 -10.32 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.614 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.85 -17.64 79.64 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -55.41 -73.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.643 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -117.28 -56.35 2.24 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.514 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' B' ' 19' ' ' SER . . . -52.69 158.93 3.44 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -71.81 -64.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.561 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -145.6 -72.52 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.466 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -77.54 -5.97 51.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.259 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -94.74 138.67 32.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.591 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -143.68 123.85 13.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.226 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.9 p -68.75 142.52 54.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.419 ' HZ1' ' HB2' ' B' ' 64' ' ' ASN . 33.4 tptt -66.46 -32.61 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.434 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -57.52 -42.76 83.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.683 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -80.64 -28.34 36.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.06 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.766 ' C ' HD13 ' B' ' 33' ' ' LEU . 3.2 tm? -60.78 -51.32 69.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.785 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -51.83 -34.86 42.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.572 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -78.66 -27.3 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.47 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.526 HD13 ' CD2' ' B' ' 18' ' ' HIS . 19.8 tp -72.32 -56.25 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.449 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.72 ' C ' HD12 ' B' ' 37' ' ' LEU . 1.4 pp -50.9 -39.8 55.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.171 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.556 ' N ' HD12 ' B' ' 37' ' ' LEU . 9.6 pt20 -77.01 -25.9 53.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 111.081 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 50.3 m -75.97 -37.19 58.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.418 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -88.2 -26.97 22.11 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.344 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.28 44.29 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.294 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.492 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 51.9 p -68.28 -27.94 66.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.748 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.85 -50.43 11.12 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.422 ' C ' ' H ' ' B' ' 46' ' ' ASP . 19.3 m-85 -49.44 -65.35 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.643 0.258 . . . . 0.0 110.907 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.84 -8.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.758 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.492 ' OD2' ' O ' ' B' ' 42' ' ' SER . 29.9 m-20 -105.78 -11.44 16.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.614 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.65 -2.94 14.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.57 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.3 pp0? -101.11 134.01 44.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.619 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -95.0 -9.67 33.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.608 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.57 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 50.0 m-20 -68.1 102.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.582 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -79.36 -29.72 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.657 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -71.28 -36.99 71.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.33 68.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.742 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.12 -31.96 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.589 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -55.14 -48.22 73.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.54 -36.02 81.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.657 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.84 -30.44 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.716 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.3 ttt -74.31 -51.73 14.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.72 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -62.21 -32.3 72.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.584 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.441 ' C ' ' OE1' ' B' ' 60' ' ' GLU . 13.7 tm-20 -55.82 -33.56 64.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.38 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.99 -37.39 82.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.558 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -74.85 -28.54 60.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.75 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -75.95 -41.06 52.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.399 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.419 ' HB2' ' HZ1' ' B' ' 30' ' ' LYS . 2.6 m-80 -94.28 44.4 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.064 0.459 . . . . 0.0 110.602 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -83.18 6.77 70.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' B' ' 65' ' ' GLY . 51.0 t0 -36.93 -28.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.396 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 110.95 -11.44 29.49 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -143.68 132.54 22.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.6 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.589 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.7 OUTLIER -94.41 -153.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.045 -179.565 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.589 ' H ' HG12 ' B' ' 69' ' ' VAL . 70.1 m-20 -152.66 142.35 21.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.994 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -49.0 -49.27 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.71 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -58.44 -33.67 69.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.43 ' O ' HD23 ' B' ' 77' ' ' LEU . 68.4 mm-40 -73.42 -30.94 63.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.211 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.553 ' O ' HG13 ' B' ' 78' ' ' VAL . 15.8 t80 -69.27 -42.67 75.23 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.878 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.9 m -75.22 -27.93 20.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.68 -39.51 31.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 N-CA-C 112.567 0.581 . . . . 0.0 112.567 -178.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.43 HD23 ' O ' ' B' ' 73' ' ' GLU . 2.5 pp -77.88 -35.2 51.12 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.906 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.553 HG13 ' O ' ' B' ' 74' ' ' TYR . 31.6 m -61.59 -43.28 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.664 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.477 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -69.26 -40.81 77.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.32 -30.76 19.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.704 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.49 -33.72 60.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.634 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 78.5 m -68.54 -55.52 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.7 p -53.27 -29.72 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.662 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.58 -26.69 67.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.658 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -90.88 -53.4 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -49.03 -38.08 22.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.77 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -54.44 -24.35 19.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.817 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 51.6 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.846 -179.873 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.69 0.281 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -53.59 -36.44 61.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.798 ' C ' HD13 ' A' ' 4' ' ' LEU . 2.8 tm? -60.59 -48.18 82.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.219 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.04 -34.33 77.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.6 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 m -65.43 -34.79 79.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.04 -44.41 82.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.503 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.5 mmm -64.83 -40.89 95.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.529 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -54.19 -33.95 59.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.543 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.6 m -60.63 -45.88 92.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.697 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -54.8 -31.16 58.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.512 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 mm -71.43 -43.25 72.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.673 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -59.83 -55.55 32.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.699 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.3 -35.19 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.498 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -61.02 -51.76 67.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.667 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -72.93 -19.9 61.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.662 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.42 84.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.656 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.64 ' CD2' HD13 ' A' ' 36' ' ' LEU . 55.0 m-70 -93.75 -14.67 25.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.75 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.6 m -63.88 -21.09 66.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.616 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.21 -17.81 77.64 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -57.47 -46.76 83.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.588 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' GLY . 68.3 mm-40 -145.72 -64.95 0.32 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 22' ' ' GLU . . . -36.22 145.39 0.08 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -57.2 -57.24 13.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 0.0 110.575 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -154.47 -71.85 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.638 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.13 -19.07 40.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.242 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -80.03 151.97 29.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.589 HD23 HD12 ' A' ' 33' ' ' LEU . 19.9 tp -150.6 118.85 6.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.445 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.44 151.24 44.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.249 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.58 ' NZ ' HD23 ' A' ' 61' ' ' LEU . 42.3 tptt -69.1 -34.34 74.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.29 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -57.21 -39.99 76.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.609 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -81.69 -37.87 26.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.49 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.589 HD12 HD23 ' A' ' 28' ' ' LEU . 6.0 tt -65.88 -42.63 90.07 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.732 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 16.5 ptmt -52.35 -40.0 61.4 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.684 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 96.4 mt-10 -80.01 -29.11 39.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.948 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.64 HD13 ' CD2' ' A' ' 18' ' ' HIS . 34.9 tp -58.24 -54.29 48.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.872 -178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.0 pp -50.47 -48.2 56.72 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.322 -178.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.666 ' N ' HD12 ' A' ' 37' ' ' LEU . 10.2 pt20 -73.46 -25.83 60.66 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.944 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 95.4 m -70.76 -35.16 72.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.145 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.575 ' C ' HD12 ' A' ' 41' ' ' LEU . 52.6 mm-40 -91.85 -26.89 18.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.244 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.575 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.7 mp -113.25 46.87 1.19 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.544 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.411 ' HA ' HD21 ' A' ' 45' ' ' LEU . 32.3 t -68.33 -27.3 66.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.12 -49.74 9.26 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.526 ' C ' ' H ' ' A' ' 46' ' ' ASP . 22.1 m-85 -52.69 -62.78 1.43 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.776 0.322 . . . . 0.0 110.971 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.744 ' C ' HD12 ' A' ' 45' ' ' LEU . 3.8 pp -52.27 -6.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.942 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.631 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.9 t0 -95.16 -39.67 9.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.493 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.16 34.69 2.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.262 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.479 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -98.45 134.27 41.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.644 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -106.74 -12.25 15.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.495 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -92.4 106.08 18.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.617 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.57 -26.11 7.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.482 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -75.52 -31.98 60.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.674 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.38 -51.53 43.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.721 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.34 -33.34 63.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.695 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.73 -49.29 78.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -61.45 -36.76 81.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.451 HG11 HD21 ' A' ' 81' ' ' LEU . 95.2 t -76.86 -30.62 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.759 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.2 ttt -73.71 -51.13 17.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.498 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -62.43 -32.81 73.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.611 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -56.13 -30.89 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.394 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.58 HD23 ' NZ ' ' A' ' 30' ' ' LYS . 37.0 mt -62.46 -39.22 92.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.509 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.09 -28.91 64.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.714 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -74.13 -35.52 64.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.532 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' A' ' 66' ' ' ASP . 1.9 m-80 -94.97 28.21 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.598 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.88 17.58 2.75 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 64' ' ' ASN . 94.8 m-20 -49.8 -43.98 48.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.522 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.7 -16.91 3.51 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -148.76 132.08 16.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.919 0.39 . . . . 0.0 110.613 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.59 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.4 OUTLIER -92.55 -154.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.537 0.684 . . . . 0.0 111.294 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.59 ' H ' HG12 ' A' ' 69' ' ' VAL . 47.3 m-20 -147.14 133.15 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.305 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -48.1 -44.48 31.82 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.454 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.428 ' O ' HG22 ' A' ' 75' ' ' VAL . 99.4 mt-30 -54.83 -37.13 65.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 109.981 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -75.85 -30.72 59.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.544 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.724 ' O ' HG13 ' A' ' 78' ' ' VAL . 61.9 t80 -63.63 -39.08 93.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 72' ' ' GLN . 28.4 m -75.74 -31.11 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.72 -39.44 31.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.47 -33.68 48.16 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.146 -0.622 . . . . 0.0 112.0 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 74' ' ' TYR . 26.9 m -63.31 -43.26 98.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.434 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.495 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -71.62 -36.42 70.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.744 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.21 -32.39 10.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.587 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.451 HD21 HG11 ' A' ' 57' ' ' VAL . 70.5 mt -75.12 -33.35 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.409 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 98.7 m -71.58 -55.2 8.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.61 -25.07 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.07 32.16 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.568 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.0 t -147.57 -53.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -55.94 -31.59 63.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -44.36 -26.55 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.455 -179.8 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.825 0.345 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -53.62 -36.45 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.642 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.796 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.8 tm? -60.36 -48.3 82.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.98 -34.39 77.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.583 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.8 m -65.34 -34.98 79.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.74 -44.51 81.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.6 mmm -64.96 -40.84 95.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.451 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -54.13 -34.03 59.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.9 m -60.71 -45.77 92.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.707 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.53 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.8 mm? -54.65 -31.29 57.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.522 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 mm -71.39 -43.16 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.777 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -59.92 -55.52 33.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.667 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 p -60.31 -35.04 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.511 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -61.08 -51.84 67.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -72.87 -19.91 61.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.707 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.24 84.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.624 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.644 ' CD2' HD13 ' B' ' 36' ' ' LEU . 54.9 m-70 -93.89 -14.74 25.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.679 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 45.3 m -63.8 -21.13 66.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.571 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.26 -17.67 77.62 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -57.58 -46.72 83.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.754 0.311 . . . . 0.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' B' ' 23' ' ' GLY . 68.2 mm-40 -145.69 -65.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' B' ' 22' ' ' GLU . . . -36.22 145.42 0.08 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -57.33 -57.08 14.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.775 0.322 . . . . 0.0 110.655 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -154.51 -71.83 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.623 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.07 -19.22 40.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.288 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -79.99 151.92 29.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.551 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.585 HD23 HD12 ' B' ' 33' ' ' LEU . 19.9 tp -150.65 118.8 6.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.438 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.43 151.17 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.215 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' HD23 ' B' ' 61' ' ' LEU . 42.4 tptt -68.97 -34.44 75.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.275 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -57.14 -40.0 76.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.623 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -81.72 -37.85 26.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.475 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.585 HD12 HD23 ' B' ' 28' ' ' LEU . 6.0 tt -65.84 -42.86 90.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.7 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 16.5 ptmt -52.32 -39.9 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.687 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.42 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 96.4 mt-10 -80.07 -29.0 39.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.644 HD13 ' CD2' ' B' ' 18' ' ' HIS . 35.0 tp -58.3 -54.16 50.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.963 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.66 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.0 pp -50.47 -48.24 56.7 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.341 -178.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.66 ' N ' HD12 ' B' ' 37' ' ' LEU . 10.2 pt20 -73.54 -25.76 60.55 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.96 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 95.8 m -70.86 -35.03 72.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.062 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.577 ' C ' HD12 ' B' ' 41' ' ' LEU . 52.1 mm-40 -92.0 -26.67 18.26 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.3 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.577 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.7 mp -113.29 46.9 1.19 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.809 0.338 . . . . 0.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.418 ' HA ' HD21 ' B' ' 45' ' ' LEU . 32.5 t -68.56 -27.18 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.15 -49.71 9.26 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.52 ' C ' ' H ' ' B' ' 46' ' ' ASP . 22.1 m-85 -52.76 -62.68 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 111.025 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.74 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.8 pp -52.37 -6.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.971 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.644 ' N ' HD12 ' B' ' 45' ' ' LEU . 11.1 t0 -95.11 -39.8 9.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.5 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.07 34.7 2.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.359 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.481 ' OE1' ' O ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -98.44 134.38 41.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.654 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -106.75 -12.18 15.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.51 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -92.43 106.0 18.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.559 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -83.32 -26.3 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -75.5 -31.95 60.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.68 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.31 -51.61 42.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.725 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.31 -33.38 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.706 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.65 -49.28 78.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.63 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -61.55 -36.69 81.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.435 HG11 HD21 ' B' ' 81' ' ' LEU . 94.4 t -76.89 -30.61 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.1 ttt -73.7 -51.14 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.493 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -62.43 -32.96 73.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -56.09 -30.72 62.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.508 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.572 HD23 ' NZ ' ' B' ' 30' ' ' LYS . 37.9 mt -62.56 -39.25 93.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.438 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.04 -28.92 64.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.655 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -74.18 -35.49 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.429 ' C ' ' H ' ' B' ' 66' ' ' ASP . 1.9 m-80 -94.99 28.27 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.521 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.94 17.65 2.76 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' B' ' 64' ' ' ASN . 94.9 m-20 -49.86 -43.84 49.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.507 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.52 -16.76 3.55 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -148.8 131.95 16.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 110.64 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.57 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.5 OUTLIER -93.5 -154.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.471 0.653 . . . . 0.0 111.071 -179.706 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.57 ' H ' HG12 ' B' ' 69' ' ' VAL . 47.5 m-20 -147.29 133.11 19.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.362 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -48.02 -44.59 31.04 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.461 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG22 ' B' ' 75' ' ' VAL . 99.4 mt-30 -54.58 -37.32 65.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.407 . . . . 0.0 109.947 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -75.95 -30.56 58.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.535 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.735 ' O ' HG13 ' B' ' 78' ' ' VAL . 61.8 t80 -63.63 -39.09 93.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.757 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 72' ' ' GLN . 28.6 m -75.81 -31.04 21.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.77 -39.49 31.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 pp -78.54 -33.55 47.8 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.078 -0.649 . . . . 0.0 112.0 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.735 HG13 ' O ' ' B' ' 74' ' ' TYR . 26.9 m -63.4 -43.29 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.388 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.499 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -71.5 -36.7 71.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.693 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.19 -32.26 10.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.555 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.435 HD21 HG11 ' B' ' 57' ' ' VAL . 70.5 mt -75.32 -33.08 61.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.521 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.4 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 99.1 m -71.82 -55.13 8.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.628 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.6 -24.96 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.671 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.14 32.2 0.55 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.537 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.1 t -147.58 -53.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.554 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -55.97 -31.49 63.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.67 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -44.39 -26.65 0.36 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.587 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.4 t80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.607 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.77 0.319 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.44 -38.23 90.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.787 ' C ' HD13 ' A' ' 4' ' ' LEU . 2.7 tm? -62.61 -47.61 83.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.344 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.76 -32.49 71.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.532 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.3 m -66.87 -37.11 83.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.545 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.45 -43.84 75.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.3 mmm -66.67 -38.13 86.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.415 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -53.97 -36.6 63.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.4 m -58.32 -45.6 87.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.781 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 11' ' ' LEU . 4.0 mm? -54.36 -31.23 54.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.441 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.5 mm -70.45 -44.1 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -59.99 -55.72 30.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.826 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 15' ' ' PHE . 11.7 p -61.6 -41.19 89.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.547 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.511 ' N ' HG13 ' A' ' 14' ' ' VAL . 74.8 t80 -60.07 -48.29 82.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.67 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -73.41 -19.04 61.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.691 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.8 -42.65 70.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.717 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.676 ' CD2' HD13 ' A' ' 36' ' ' LEU . 78.1 m-70 -84.35 -27.48 27.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.695 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 m -65.36 -14.79 61.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.602 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.1 1.82 30.74 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -74.79 -106.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.641 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -82.53 -27.86 31.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.679 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.95 174.77 48.64 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -87.15 -72.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.33 . . . . 0.0 110.544 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -144.19 -48.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.408 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -99.7 -4.59 30.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.352 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -95.17 129.76 42.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.471 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 tp -124.81 114.96 19.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 m -59.42 151.9 22.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.037 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HZ1' ' CD2' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -69.02 -38.87 79.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.574 179.7 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.12 -44.27 83.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.468 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -76.6 -28.24 56.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.82 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.8 tm? -64.51 -54.66 28.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.758 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' N ' HD13 ' A' ' 33' ' ' LEU . 17.1 ptmt -57.27 -38.19 73.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.816 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -78.94 -27.23 43.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.676 HD13 ' CD2' ' A' ' 18' ' ' HIS . 21.5 tp -62.63 -55.4 27.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.902 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -50.75 -49.4 58.02 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.499 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.684 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.3 pt20 -66.34 -25.56 66.87 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.048 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.7 m -76.93 -38.28 53.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.383 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -93.5 -27.02 16.91 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.376 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.63 46.86 1.83 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.807 0.337 . . . . 0.0 110.349 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.24 -28.89 67.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.64 -53.53 6.49 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.431 ' CE1' HG23 ' A' ' 82' ' ' THR . 19.6 m-85 -45.7 -64.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.586 0.232 . . . . 0.0 111.0 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 pp -55.27 -10.05 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 0.0 111.078 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -101.32 -11.37 19.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.761 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.81 -2.93 15.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.948 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.547 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.4 pp0? -99.7 139.44 35.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.696 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -105.17 -12.15 16.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.591 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.547 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 84.9 m-20 -61.36 105.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.588 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.2 t -77.67 -35.68 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -69.54 -34.68 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.815 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.77 -51.49 61.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.713 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.04 -32.32 53.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.584 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.62 -46.07 91.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.557 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -65.44 -38.33 89.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.526 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.467 HG11 HD21 ' A' ' 81' ' ' LEU . 96.3 t -74.61 -30.44 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.8 ttt -71.52 -51.41 23.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.406 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -64.88 -33.6 76.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.657 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -53.6 -31.06 45.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.554 ' CD2' ' HZ1' ' A' ' 30' ' ' LYS . 21.1 mt -64.42 -35.82 82.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.504 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.34 -27.63 61.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.609 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.89 -37.27 75.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.468 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.571 ' C ' ' H ' ' A' ' 66' ' ' ASP . 31.3 m-80 -90.33 24.61 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.749 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . -50.0 -5.77 0.07 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' A' ' 64' ' ' ASN . 57.3 t0 -35.07 -40.15 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.814 0.34 . . . . 0.0 110.641 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.48 -3.25 11.19 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -169.28 133.79 1.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.912 0.387 . . . . 0.0 110.808 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.573 HG11 ' HG ' ' A' ' 33' ' ' LEU . 28.2 m -91.73 -170.09 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.894 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -124.77 151.98 44.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.893 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -48.56 -48.6 38.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.856 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -57.03 -33.83 67.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.698 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.423 ' O ' HD23 ' A' ' 77' ' ' LEU . 77.5 mm-40 -75.6 -30.81 59.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.71 ' O ' HG13 ' A' ' 78' ' ' VAL . 29.9 t80 -68.51 -40.06 81.0 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.108 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.8 m -75.5 -28.86 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.8 -40.34 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 73' ' ' GLU . 2.6 pp -78.34 -35.3 47.75 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.075 -178.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.9 m -59.66 -41.27 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.461 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -75.01 -40.47 60.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.715 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.42 -30.57 2.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.467 HD21 HG11 ' A' ' 57' ' ' VAL . 76.8 mt -75.4 -38.64 59.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.656 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.431 HG23 ' CE1' ' A' ' 44' ' ' PHE . 95.7 m -63.86 -54.95 26.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.748 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.455 ' C ' ' H ' ' A' ' 85' ' ' CYS . 7.4 p -52.04 -36.43 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.722 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.29 30.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.455 ' H ' ' C ' ' A' ' 83' ' ' VAL . 47.3 t -149.49 -55.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.61 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 88' ' ' PHE . 89.4 m-20 -52.92 -36.41 59.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.565 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.537 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 0.5 OUTLIER -40.4 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 86' ' ' ASN . 46.6 t80 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.684 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.828 0.347 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.47 -38.16 90.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.497 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.794 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.7 tm? -62.68 -47.57 83.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.318 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.79 -32.47 71.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 39.3 m -66.87 -37.08 83.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.606 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.52 -43.84 76.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.547 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 61.0 mmm -66.62 -38.19 86.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.41 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -54.0 -36.54 63.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.516 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.7 m -58.36 -45.57 87.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.737 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.558 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.9 mm? -54.42 -31.27 54.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.41 -43.99 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.734 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -60.09 -55.63 31.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.882 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.5 HG13 ' N ' ' B' ' 15' ' ' PHE . 11.6 p -61.62 -41.06 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.68 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.5 ' N ' HG13 ' B' ' 14' ' ' VAL . 75.2 t80 -60.07 -48.36 82.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.688 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -73.27 -19.21 61.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.634 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.81 -42.49 70.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.782 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.672 ' CD2' HD13 ' B' ' 36' ' ' LEU . 78.1 m-70 -84.45 -27.55 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 16.3 m -65.27 -14.67 61.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.16 1.77 31.54 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -74.78 -106.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.724 0.297 . . . . 0.0 110.675 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -82.57 -27.74 31.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.682 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.88 174.74 48.49 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -87.07 -72.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 110.545 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -144.14 -48.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -99.7 -4.5 30.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.461 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -95.22 129.72 42.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.499 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 tp -124.74 114.92 19.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 5.8 m -59.25 151.77 22.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.063 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.525 ' HZ1' ' CD2' ' B' ' 61' ' ' LEU . 0.1 OUTLIER -69.0 -38.82 79.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.618 179.661 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.482 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.05 -44.39 82.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.954 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -76.3 -28.49 56.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.83 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.763 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.8 tm? -64.35 -54.85 26.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.698 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.452 ' N ' HD13 ' B' ' 33' ' ' LEU . 17.0 ptmt -57.11 -38.2 73.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.85 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -79.17 -26.98 42.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.672 HD13 ' CD2' ' B' ' 18' ' ' HIS . 21.4 tp -62.8 -55.35 27.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.812 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.694 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -50.75 -49.38 58.11 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.517 -178.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.694 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.3 pt20 -66.34 -25.53 66.86 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.05 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 41.7 m -76.94 -38.43 53.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.244 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -93.47 -26.89 16.99 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.379 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.65 46.86 1.83 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.875 0.369 . . . . 0.0 110.462 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.21 -28.78 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.77 -53.52 6.39 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.43 ' CE1' HG23 ' B' ' 82' ' ' THR . 19.3 m-85 -45.66 -64.33 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.597 0.237 . . . . 0.0 111.0 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 pp -55.29 -10.0 0.52 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.781 0.324 . . . . 0.0 111.035 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -101.29 -11.41 19.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.808 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.84 -2.88 15.08 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.538 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.4 pp0? -99.79 139.45 35.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.659 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -105.21 -12.16 16.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.488 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.538 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 85.1 m-20 -61.47 105.54 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.522 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 75.7 t -77.76 -35.47 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.696 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -69.65 -34.75 74.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.709 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.67 -51.51 62.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.752 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.95 -32.38 54.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.589 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.61 -46.08 91.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.612 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -65.46 -38.28 89.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.538 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.477 HG11 HD21 ' B' ' 81' ' ' LEU . 96.5 t -74.67 -30.3 24.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.573 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.8 ttt -71.67 -51.38 23.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.456 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -64.75 -33.74 76.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -53.56 -30.98 44.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.558 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.525 ' CD2' ' HZ1' ' B' ' 30' ' ' LYS . 21.0 mt -64.54 -35.77 82.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.467 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -73.37 -27.56 61.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.653 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.0 -37.2 75.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.555 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.556 ' C ' ' H ' ' B' ' 66' ' ' ASP . 31.1 m-80 -90.29 24.72 2.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.811 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' B' ' 66' ' ' ASP . . . -50.05 -5.86 0.08 OUTLIER Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.556 ' H ' ' C ' ' B' ' 64' ' ' ASN . 57.0 t0 -34.98 -40.12 0.11 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.717 0.294 . . . . 0.0 110.742 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.43 -3.16 11.25 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -169.27 133.98 1.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.567 HG11 ' HG ' ' B' ' 33' ' ' LEU . 27.1 m -92.44 -170.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.666 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -124.51 151.92 44.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.045 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -48.54 -48.66 38.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -56.88 -34.01 67.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.363 . . . . 0.0 110.73 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.417 ' O ' HD23 ' B' ' 77' ' ' LEU . 77.6 mm-40 -75.49 -30.8 59.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.693 ' O ' HG13 ' B' ' 78' ' ' VAL . 30.0 t80 -68.46 -40.09 81.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.137 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.52 -28.79 20.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.89 -40.48 31.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.417 HD23 ' O ' ' B' ' 73' ' ' GLU . 2.6 pp -78.36 -35.06 47.92 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.191 -0.604 . . . . 0.0 112.104 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.693 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.9 m -59.84 -41.18 84.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.375 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.464 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -75.01 -40.58 60.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.665 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.44 -30.44 2.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.741 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.477 HD21 HG11 ' B' ' 57' ' ' VAL . 76.8 mt -75.48 -38.64 59.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.617 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.43 HG23 ' CE1' ' B' ' 44' ' ' PHE . 95.1 m -63.96 -54.75 29.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.455 ' C ' ' H ' ' B' ' 85' ' ' CYS . 7.4 p -52.22 -36.36 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.661 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.31 30.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.455 ' H ' ' C ' ' B' ' 83' ' ' VAL . 47.1 t -149.52 -55.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.666 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' B' ' 88' ' ' PHE . 89.4 m-20 -52.86 -36.56 59.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.604 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' B' ' 87' ' ' ASN . 0.5 OUTLIER -40.44 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' B' ' 86' ' ' ASN . 46.7 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.612 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.85 0.357 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -55.15 -31.76 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.721 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -56.13 -48.45 76.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.405 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -65.42 -34.43 78.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.509 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.0 p -69.37 -34.66 74.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.774 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.93 -38.38 67.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.516 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.6 mmm -76.8 -33.25 58.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.959 0.409 . . . . 0.0 110.398 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -57.07 -37.43 71.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.752 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.0 m -58.84 -40.53 84.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.595 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -61.2 -31.16 70.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.588 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.4 mm -69.92 -41.71 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -61.17 -55.62 30.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.12 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 15' ' ' PHE . 14.8 p -59.86 -37.86 73.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.824 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' N ' HG13 ' A' ' 14' ' ' VAL . 69.1 t80 -60.61 -40.61 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -82.29 -17.69 44.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.7 -35.42 57.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.785 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.637 ' CD2' HD13 ' A' ' 36' ' ' LEU . 57.7 m-70 -92.61 -12.56 31.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.828 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.0 m -76.96 9.04 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.81 0.338 . . . . 0.0 110.673 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.39 0.1 53.64 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -63.46 -52.04 63.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.68 0.276 . . . . 0.0 110.733 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -149.49 -44.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.566 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.72 148.7 3.51 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -42.79 -88.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.57 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -142.21 -55.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.476 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.7 34.98 1.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.166 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -136.41 148.29 47.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.577 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.0 tp -133.44 125.65 29.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.8 p -75.04 144.49 43.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -66.18 -30.08 70.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.426 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -56.52 -45.15 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.038 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -80.35 -28.21 38.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.35 . . . . 0.0 110.767 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.712 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.9 tm? -53.76 -52.95 58.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.902 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 17.8 ptmt -51.42 -39.17 56.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 70.0 mt-10 -79.19 -27.26 42.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.796 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.637 HD13 ' CD2' ' A' ' 18' ' ' HIS . 22.5 tp -63.34 -55.97 20.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.791 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.722 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.4 pp -51.65 -50.8 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.537 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.722 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.0 pt20 -65.25 -25.69 67.78 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.191 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.6 m -70.53 -42.37 71.34 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.42 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.75 -27.06 16.71 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.344 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 mp -115.07 40.04 2.75 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.728 0.299 . . . . 0.0 110.325 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.431 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 1.2 p -65.68 -28.59 69.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.921 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.25 -47.37 29.98 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -51.37 -63.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.669 0.271 . . . . 0.0 110.988 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 42' ' ' SER . 3.0 pp -56.96 -27.38 61.16 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.058 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 42' ' ' SER . 91.5 m-20 -72.71 -41.1 65.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.617 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.94 39.43 1.79 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.398 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -99.84 137.38 38.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.646 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -104.79 -13.55 15.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.49 ' OD2' ' O ' ' A' ' 84' ' ' ALA . 21.4 m-20 -91.53 106.05 18.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.52 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.1 t -80.04 -32.15 13.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.575 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 58.3 t0 -70.31 -35.41 73.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.96 -51.47 69.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.63 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.8 -31.92 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -58.33 -46.22 86.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.71 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.83 -36.78 85.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.534 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.65 -30.26 24.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.503 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.9 ttm -72.63 -51.52 19.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.52 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -64.3 -31.72 73.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.581 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -52.93 -31.84 42.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.42 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.39 -43.39 92.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.609 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -65.6 -33.84 76.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.39 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -69.59 -35.17 75.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.044 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -101.69 95.63 6.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.575 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -119.66 -5.18 11.27 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' GLY . 43.4 t0 -36.79 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.95 0.405 . . . . 0.0 110.543 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 96.87 -6.34 64.41 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -143.31 132.15 22.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 110.396 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.575 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -92.71 -154.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.309 -179.685 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.575 ' H ' HG12 ' A' ' 69' ' ' VAL . 49.4 t0 -150.14 141.72 23.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.861 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.473 ' CE2' ' HB1' ' B' ' 79' ' ' ALA . 44.9 t80 -48.71 -50.13 34.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.698 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -57.54 -33.65 68.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.655 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' O ' HD23 ' A' ' 77' ' ' LEU . 72.0 mm-40 -75.45 -30.89 60.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.574 ' O ' HG13 ' A' ' 78' ' ' VAL . 15.0 t80 -69.23 -41.97 76.28 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.946 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.17 -28.08 20.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -39.37 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.5 pp -77.63 -34.76 53.16 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.928 -178.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 74' ' ' TYR . 30.3 m -61.69 -42.02 92.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.336 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB1' ' CE2' ' B' ' 71' ' ' PHE . . . -70.11 -38.74 75.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.624 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.52 -31.79 16.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.474 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.6 mt -75.16 -34.24 61.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.6 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.7 m -69.88 -55.1 10.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.754 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.52 -30.85 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.696 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.49 ' O ' ' OD2' ' A' ' 50' ' ' ASP . . . -64.05 -39.18 93.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.71 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.8 m -83.44 -50.54 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.691 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -51.7 -36.12 45.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.572 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -50.61 -24.75 3.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.723 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.8 t80 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.854 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.779 0.324 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -55.11 -31.82 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.677 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.639 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.4 OUTLIER -56.19 -48.37 76.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.395 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.57 -34.22 77.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.555 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 62.1 p -69.49 -34.68 74.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.779 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.8 -38.44 67.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.617 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.1 mmm -76.69 -33.35 58.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.39 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -57.13 -37.41 71.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.783 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 23.7 m -58.72 -40.57 84.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.787 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.575 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.7 mm? -61.11 -31.23 70.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.621 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.5 mm -69.86 -41.9 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -60.95 -55.75 29.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.078 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.429 HG13 ' N ' ' B' ' 15' ' ' PHE . 14.6 p -59.91 -37.8 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.736 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.429 ' N ' HG13 ' B' ' 14' ' ' VAL . 69.6 t80 -60.67 -40.46 92.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.711 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -82.33 -17.76 44.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.779 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.56 -35.59 58.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.644 ' CD2' HD13 ' B' ' 36' ' ' LEU . 57.6 m-70 -92.56 -12.51 31.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 72.5 m -77.03 9.18 3.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.601 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.39 0.03 53.63 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -63.44 -51.99 63.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.718 0.294 . . . . 0.0 110.701 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -149.61 -44.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.614 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.74 148.64 3.56 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -42.65 -88.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -142.07 -55.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.66 35.0 1.41 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.207 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -136.43 148.28 47.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.604 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 26.3 tp -133.39 125.7 29.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.341 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.9 p -75.23 144.52 42.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -66.13 -30.06 70.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.47 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -56.57 -45.15 81.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.018 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -80.25 -28.37 38.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.697 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.724 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.9 tm? -53.64 -53.02 57.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.959 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 17.8 ptmt -51.36 -39.29 56.79 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.804 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 70.1 mt-10 -79.07 -27.22 43.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.947 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.644 HD13 ' CD2' ' B' ' 18' ' ' HIS . 22.7 tp -63.35 -55.97 20.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.792 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.728 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.4 pp -51.76 -50.62 60.31 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.493 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.728 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.0 pt20 -65.47 -25.5 67.53 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.179 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.1 m -70.73 -42.29 70.75 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.358 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.75 -26.99 16.75 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.318 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 mp -115.05 39.79 2.81 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.705 0.288 . . . . 0.0 110.319 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.444 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 1.2 p -65.36 -28.62 69.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.992 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.27 -47.33 30.04 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -51.61 -63.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.061 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' B' ' 42' ' ' SER . 2.9 pp -57.06 -27.5 61.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.953 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' B' ' 42' ' ' SER . 91.9 m-20 -72.76 -40.97 65.57 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.656 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.93 39.48 1.77 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.445 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -99.95 137.38 38.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.626 -179.733 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -104.84 -13.5 15.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.524 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.486 ' OD2' ' O ' ' B' ' 84' ' ' ALA . 21.2 m-20 -91.63 106.12 18.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.619 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 94.3 t -80.26 -31.99 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.473 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' B' ' 52' ' ' ASP . 58.4 t0 -70.25 -35.41 73.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.69 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -51.52 68.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.646 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.0 p -68.75 -32.07 53.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.601 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -58.23 -46.34 86.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.8 -36.81 85.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.524 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 91.1 t -74.67 -30.24 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.0 ttm -72.62 -51.54 19.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.607 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -64.2 -31.76 73.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.584 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -52.95 -31.71 41.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.445 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 62.6 mt -59.43 -43.44 93.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.571 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -65.7 -33.73 76.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.415 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -69.6 -35.23 75.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.999 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -101.63 95.58 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.27 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -119.56 -5.1 11.42 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' B' ' 65' ' ' GLY . 43.4 t0 -36.72 -26.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.4 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 97.08 -7.11 64.34 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -142.18 132.57 25.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.882 0.373 . . . . 0.0 110.471 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.556 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.5 OUTLIER -94.16 -154.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.034 -179.563 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.556 ' H ' HG12 ' B' ' 69' ' ' VAL . 49.3 t0 -150.06 141.78 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.897 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.482 ' CE2' ' HB1' ' A' ' 79' ' ' ALA . 45.0 t80 -48.73 -50.09 35.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.795 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -57.52 -33.65 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.746 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.403 ' O ' HD23 ' B' ' 77' ' ' LEU . 72.1 mm-40 -75.34 -31.06 60.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.574 ' O ' HG13 ' B' ' 78' ' ' VAL . 15.0 t80 -69.22 -41.98 76.34 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.859 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.22 -28.11 20.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.63 -39.46 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.427 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.5 pp -77.67 -34.82 52.86 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.892 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.574 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.8 m -61.43 -42.15 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.479 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.473 ' HB1' ' CE2' ' A' ' 71' ' ' PHE . . . -70.02 -38.79 76.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.771 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.57 -31.59 16.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.9 mt -75.36 -34.27 61.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.578 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 31.3 m -69.7 -55.13 10.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 p -57.72 -30.75 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.643 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.486 ' O ' ' OD2' ' B' ' 50' ' ' ASP . . . -64.03 -39.2 93.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.677 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 73.7 m -83.52 -50.33 8.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.768 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -51.86 -36.0 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.607 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -50.63 -24.91 3.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.726 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.2 t80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.793 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.748 0.308 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -59.78 -37.94 80.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -60.94 -48.61 81.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.183 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.74 -31.31 70.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.27 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.7 m -69.51 -34.94 75.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.602 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.38 -47.16 76.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.59 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.6 mmm -68.15 -36.18 79.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.5 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -56.14 -33.49 65.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.515 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.7 m -60.99 -42.9 99.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.729 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -59.8 -31.23 69.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.479 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.2 mm -70.0 -44.17 78.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.968 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -60.01 -54.8 41.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 15' ' ' PHE . 11.5 p -62.05 -41.32 90.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.735 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.505 ' N ' HG13 ' A' ' 14' ' ' VAL . 89.4 t80 -57.96 -40.93 81.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -79.9 -18.3 50.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.601 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.74 -42.65 60.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.64 ' CD2' HD13 ' A' ' 36' ' ' LEU . 65.1 m-70 -84.37 -10.31 57.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.738 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.3 m -76.17 2.78 12.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.588 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.88 -1.47 67.63 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -69.88 -74.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 110.589 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -115.02 -30.74 6.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.494 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.55 152.36 52.32 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -63.53 -52.34 61.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.538 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -169.18 -45.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.644 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.38 28.26 7.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.147 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -136.08 149.32 48.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.458 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 tp -139.16 127.3 22.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.474 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 p -74.35 145.17 44.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -66.37 -30.13 70.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.342 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -56.41 -45.18 80.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.801 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -80.63 -28.01 37.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.698 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.702 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.5 tm? -53.54 -55.4 25.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 10.8 ptmm? -51.39 -38.38 53.13 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.824 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 93.6 mt-10 -78.88 -27.06 43.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.64 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.7 tp -65.27 -56.3 13.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.72 -179.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.705 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.66 -50.37 60.49 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.604 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.705 ' N ' HD12 ' A' ' 37' ' ' LEU . 12.4 pt20 -65.66 -25.4 67.33 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.276 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.2 m -72.36 -42.06 65.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.724 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.73 -26.75 16.87 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.286 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.5 46.3 1.64 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.796 0.332 . . . . 0.0 110.303 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.4 ' HA ' HD21 ' A' ' 45' ' ' LEU . 24.6 p -68.66 -35.6 77.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.99 -46.63 80.03 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -50.0 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.741 0.305 . . . . 0.0 110.826 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' A' ' 42' ' ' SER . 2.9 pp -54.62 -24.35 21.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.046 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.11 -45.04 51.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.534 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.58 42.95 1.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.393 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.484 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -104.1 133.56 48.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.696 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -101.31 -23.52 14.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.421 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -77.16 105.73 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -80.61 -31.99 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.643 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -72.05 -33.43 67.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.719 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.76 -51.25 67.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.67 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.86 -32.59 58.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.589 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -59.91 -43.37 94.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.641 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.54 -38.09 89.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.3 t -75.25 -30.64 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.648 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.4 ttt -71.89 -50.89 25.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.5 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -64.58 -31.71 73.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.521 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -54.21 -33.98 59.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.633 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.2 mt -59.42 -39.74 84.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.637 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -70.17 -31.2 68.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.557 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -69.31 -38.47 78.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.286 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -100.99 97.01 7.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.419 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.565 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -119.67 -6.37 10.44 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' GLY . 27.7 t70 -36.56 -26.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.777 0.322 . . . . 0.0 110.53 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 99.44 -6.37 59.26 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -142.96 131.73 22.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.189 0.518 . . . . 0.0 110.399 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.597 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.92 -154.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.33 -179.568 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.597 ' H ' HG12 ' A' ' 69' ' ' VAL . 22.5 t0 -149.6 143.65 25.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.914 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -48.7 -51.67 27.44 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.819 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -57.43 -34.13 68.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.609 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -74.64 -30.44 61.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.691 ' O ' HG22 ' A' ' 78' ' ' VAL . 10.7 t80 -68.46 -43.18 77.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.855 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.9 m -75.07 -27.86 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -38.41 39.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 120.468 -0.493 . . . . 0.0 112.288 -178.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -78.3 -42.45 30.74 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.741 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 74' ' ' TYR . 17.9 m -62.11 -32.4 54.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.285 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.06 -37.62 64.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.431 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.77 -24.01 47.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.703 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.6 mt -75.04 -33.23 61.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.62 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.527 HG22 ' OD1' ' A' ' 86' ' ' ASN . 91.1 m -68.13 -53.0 28.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.686 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.85 -23.56 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.699 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.58 24.66 0.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.705 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.0 t -153.41 -43.51 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.527 ' OD1' HG22 ' A' ' 82' ' ' THR . 10.5 m120 -53.5 -31.49 46.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.635 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -49.53 -31.91 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.7 t80 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.64 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.818 0.342 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -59.5 -38.1 80.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.619 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -60.8 -48.76 80.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.119 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.73 -31.29 70.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.301 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 89.9 m -69.46 -34.95 75.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.664 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.19 76.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.541 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.7 mmm -68.16 -36.22 79.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.918 0.39 . . . . 0.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -56.08 -33.63 65.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.553 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.6 m -60.75 -43.13 98.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.771 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.598 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.8 mm? -59.55 -31.38 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.499 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 14.3 mm -70.02 -44.2 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -60.04 -54.69 43.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.5 HG13 ' N ' ' B' ' 15' ' ' PHE . 11.7 p -62.12 -41.4 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.724 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.5 ' N ' HG13 ' B' ' 14' ' ' VAL . 89.3 t80 -57.7 -40.95 80.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.658 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -79.91 -18.45 50.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.86 -42.58 60.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.636 ' CD2' HD13 ' B' ' 36' ' ' LEU . 65.8 m-70 -84.29 -10.33 57.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.785 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m -76.17 2.76 12.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.593 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.92 -1.49 67.51 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -69.94 -74.01 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.705 0.288 . . . . 0.0 110.55 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -115.06 -30.82 6.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.51 152.27 52.27 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -63.43 -52.33 61.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.639 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -169.11 -45.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.568 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.22 28.16 7.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -136.07 149.49 48.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.45 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -139.2 127.37 22.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.426 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.1 p -74.61 145.24 43.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -66.47 -29.89 70.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.299 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -56.74 -45.12 82.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.673 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -80.43 -28.23 37.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.718 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.699 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.5 tm? -53.41 -55.48 24.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.416 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 10.9 ptmm? -51.38 -38.45 53.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.914 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.416 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 93.6 mt-10 -78.82 -26.97 44.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.636 HD13 ' CD2' ' B' ' 18' ' ' HIS . 20.7 tp -65.25 -56.32 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.722 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.717 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.73 -50.25 60.94 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.569 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.717 ' N ' HD12 ' B' ' 37' ' ' LEU . 12.4 pt20 -65.75 -25.44 67.28 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.251 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 66.5 m -72.38 -42.09 65.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.656 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.65 -26.82 16.89 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.322 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.48 46.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 0.0 110.451 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.403 ' HA ' HD21 ' B' ' 45' ' ' LEU . 24.7 p -68.72 -35.49 77.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.05 -46.6 79.75 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -49.96 -66.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.695 0.283 . . . . 0.0 110.744 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' B' ' 42' ' ' SER . 3.0 pp -54.58 -24.31 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.939 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.09 -45.21 50.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.46 43.06 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.474 ' OE1' ' O ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -104.18 133.43 49.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.631 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -101.34 -23.29 14.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -77.24 105.79 8.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -80.59 -32.01 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.643 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -72.14 -33.35 67.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.742 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.56 -51.49 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.71 -32.59 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.664 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -59.88 -43.41 94.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.682 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.44 -38.05 89.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.9 t -75.35 -30.64 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.588 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 6.4 ttt -71.76 -51.01 24.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.392 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.4 ' HG2' ' HZ2' ' B' ' 59' ' ' LYS . 3.9 pttm -64.62 -31.57 72.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.539 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -54.21 -34.05 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.609 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 63.3 mt -59.51 -39.67 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.62 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -70.1 -31.26 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.561 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -69.41 -38.46 77.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.118 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -101.02 97.07 7.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.42 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -119.78 -6.28 10.39 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' B' ' 65' ' ' GLY . 27.7 t70 -36.66 -26.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 110.503 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 99.56 -7.19 59.48 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -141.62 131.92 25.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.569 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -94.46 -154.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.035 -179.442 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.569 ' H ' HG12 ' B' ' 69' ' ' VAL . 22.7 t0 -149.38 143.81 26.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.918 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -48.63 -51.82 26.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.79 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -57.25 -34.32 68.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.57 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -74.52 -30.53 61.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.709 ' O ' HG22 ' B' ' 78' ' ' VAL . 10.9 t80 -68.35 -43.28 77.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.931 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 31.0 m -75.01 -27.76 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -38.21 37.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 120.427 -0.509 . . . . 0.0 112.261 -178.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.58 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.5 pp -78.41 -42.4 30.25 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.622 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.709 HG22 ' O ' ' B' ' 74' ' ' TYR . 17.7 m -62.16 -32.39 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.09 -37.5 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.482 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.9 -23.93 48.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.691 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.12 -33.23 61.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.545 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.507 HG22 ' OD1' ' B' ' 86' ' ' ASN . 89.6 m -68.01 -53.0 29.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.763 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 10.9 p -61.94 -23.54 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.604 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.48 24.52 0.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.646 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.8 t -153.31 -43.43 0.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.587 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.507 ' OD1' HG22 ' B' ' 82' ' ' THR . 10.5 m120 -53.57 -31.51 46.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.562 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -49.5 -31.82 10.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 46.8 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.522 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.846 0.355 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -52.32 -29.3 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.602 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.69 -48.72 68.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -65.09 -32.87 74.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.67 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.7 p -69.4 -34.5 74.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.79 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.85 -41.95 71.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.544 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.8 mmm -70.71 -34.55 72.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.374 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -56.7 -35.33 68.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.571 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.5 m -60.21 -42.48 95.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.6 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -59.03 -31.4 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.634 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.5 mm -70.33 -40.41 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.769 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -60.04 -55.68 30.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.9 p -61.46 -39.22 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.737 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.448 ' N ' HG13 ' A' ' 14' ' ' VAL . 72.2 t80 -59.5 -42.81 93.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.572 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -80.37 -17.72 51.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.671 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.42 -42.13 54.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.964 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.528 ' CD2' HD13 ' A' ' 36' ' ' LEU . 40.9 m-70 -86.74 -9.74 55.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.87 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -77.73 4.06 12.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.867 0.365 . . . . 0.0 110.528 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.79 -8.7 59.15 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -64.7 -72.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.797 0.332 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -117.41 -13.6 10.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.37 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.18 153.63 34.14 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -86.75 -32.19 20.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.801 0.334 . . . . 0.0 110.574 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -169.66 -91.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.539 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.28 28.04 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 25' ' ' LYS . 45.2 mtmt -121.87 142.04 50.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.624 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 tp -139.46 123.44 17.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.308 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -75.16 143.44 43.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.043 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -68.79 -29.69 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.456 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -56.69 -44.86 81.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.888 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.45 -28.17 37.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.663 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.674 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.4 tm? -53.46 -52.58 59.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.894 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -51.25 -36.96 44.48 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.768 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' A' ' 39' ' ' THR . 95.7 mt-10 -79.2 -27.35 42.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.823 0.344 . . . . 0.0 110.836 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.528 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.9 tp -66.69 -56.23 11.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.805 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.58 -49.12 62.71 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.274 -178.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.681 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.8 pt20 -67.7 -25.57 65.74 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.928 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 42.1 m -72.84 -39.61 66.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.167 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -92.99 -26.75 17.4 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.234 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.58 45.73 2.07 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.682 0.277 . . . . 0.0 110.481 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -68.32 -31.03 70.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.66 -53.0 7.67 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -44.82 -66.96 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.011 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 pp -54.37 -12.84 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.922 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -99.64 -17.06 17.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.787 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.17 -2.93 30.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.773 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.582 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 5.1 pp0? -105.36 146.83 28.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.643 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -115.69 9.82 15.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.404 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.582 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 94.6 m-20 -79.25 106.04 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.657 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.3 t -76.02 -38.83 36.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.692 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -69.03 -38.81 79.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.97 -51.51 66.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.676 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 50' ' ' ASP . 9.4 p -68.95 -34.41 64.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.32 -46.91 72.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.621 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -60.63 -38.18 83.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.641 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.89 -30.49 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.56 -51.2 24.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.433 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -63.99 -31.55 72.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.584 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -54.15 -31.96 53.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.7 -39.78 92.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.554 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -74.22 -27.64 60.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.753 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -73.15 -41.18 64.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.505 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -100.93 32.86 3.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.591 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.45 16.32 7.98 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -48.55 -45.09 37.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.85 0.357 . . . . 0.0 110.532 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.3 -15.87 3.43 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -142.71 132.63 24.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.05 0.452 . . . . 0.0 110.446 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.594 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -92.62 -154.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.413 -179.501 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.594 ' H ' HG12 ' A' ' 69' ' ' VAL . 12.7 m-20 -150.16 141.26 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.819 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.463 ' CE2' ' HB1' ' B' ' 79' ' ' ALA . 37.4 t80 -48.52 -49.74 34.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.789 0.328 . . . . 0.0 110.681 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.06 -33.42 72.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.633 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' O ' HD23 ' A' ' 77' ' ' LEU . 17.2 mm-40 -74.29 -30.85 62.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.055 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.551 ' O ' HG13 ' A' ' 78' ' ' VAL . 15.4 t80 -70.67 -42.47 70.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.848 0.356 . . . . 0.0 110.958 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 m -74.94 -27.77 20.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.53 -40.4 33.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -76.89 -35.02 57.69 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.971 -178.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 74' ' ' TYR . 30.1 m -62.06 -41.53 91.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.352 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB1' ' CE2' ' B' ' 71' ' ' PHE . . . -67.98 -39.82 83.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.45 -32.78 12.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.597 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.1 mt -75.43 -29.84 59.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.597 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.7 m -69.54 -55.14 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.992 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.29 -26.97 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.821 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.81 -22.52 66.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.808 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.9 t -93.81 -56.09 3.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.771 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -47.13 -33.99 5.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.776 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -52.69 -28.16 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.634 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.3 t80 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.659 -179.959 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.806 0.336 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -52.37 -29.29 23.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.639 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.4 OUTLIER -66.83 -48.72 68.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.493 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.95 -32.9 74.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.683 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 77.5 p -69.37 -34.61 74.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.817 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.83 -41.92 71.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.649 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 58.7 mmm -70.58 -34.66 72.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.488 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -56.55 -35.4 68.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.575 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 23.6 m -60.27 -42.38 95.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.6 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.9 mm? -58.96 -31.51 68.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.615 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.36 -40.27 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.808 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -60.1 -55.53 32.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.941 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.438 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.7 p -61.6 -39.22 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.685 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.438 ' N ' HG13 ' B' ' 14' ' ' VAL . 72.0 t80 -59.49 -42.83 93.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.548 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -80.47 -17.58 51.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.768 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.47 -42.08 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.528 ' CD2' HD13 ' B' ' 36' ' ' LEU . 41.4 m-70 -86.68 -9.83 55.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.956 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.6 m -77.66 4.11 12.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.503 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.98 -8.51 59.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -64.71 -72.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.856 0.36 . . . . 0.0 110.4 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -117.25 -13.75 10.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.02 153.67 34.46 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -86.71 -32.3 20.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 110.54 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.407 ' C ' ' H ' ' B' ' 27' ' ' LYS . 0.2 OUTLIER -169.6 -91.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.35 28.08 0.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.299 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' B' ' 25' ' ' LYS . 45.2 mtmt -121.89 141.97 50.73 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -139.42 123.53 17.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.301 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -75.22 143.4 43.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.256 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -68.74 -29.78 68.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.444 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -56.62 -44.91 81.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.914 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.29 -28.34 38.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.906 0.384 . . . . 0.0 110.657 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.666 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.5 tm? -53.5 -52.54 59.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.792 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -51.27 -36.92 44.47 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.763 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -79.27 -27.29 42.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.822 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.528 HD13 ' CD2' ' B' ' 18' ' ' HIS . 20.9 tp -66.57 -56.3 11.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.84 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.692 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.54 -49.06 62.74 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.373 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.692 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.9 pt20 -67.61 -25.63 65.85 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.006 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 43.0 m -72.82 -39.65 66.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.217 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -93.02 -26.57 17.45 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.214 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.77 45.8 2.07 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.439 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -68.38 -30.91 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.001 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.79 -52.88 7.69 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -44.89 -67.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.627 0.251 . . . . 0.0 110.89 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 pp -54.28 -12.82 0.72 Allowed 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.823 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -99.69 -17.11 17.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.728 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.13 -2.96 30.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.712 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.578 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 5.1 pp0? -105.41 146.83 28.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.627 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -115.59 9.79 15.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.478 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.578 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 94.5 m-20 -79.24 106.0 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.639 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -76.08 -38.64 35.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -69.01 -38.92 79.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.9 -51.44 66.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.799 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.436 HG12 ' O ' ' B' ' 50' ' ' ASP . 9.3 p -69.08 -34.23 62.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.664 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.49 -46.76 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.609 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -60.83 -38.11 84.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.627 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.5 t -76.78 -30.56 18.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.634 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.53 -51.4 23.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -63.93 -31.56 72.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -54.04 -31.98 53.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.56 -39.83 92.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.648 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.2 -27.68 60.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.771 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -73.12 -41.09 64.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.468 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -101.02 32.72 3.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.481 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.5 16.48 7.8 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -48.71 -44.91 38.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 110.512 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.44 -16.86 3.35 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -141.16 133.22 27.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 0.0 110.526 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.58 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -94.14 -154.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.199 -179.54 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.58 ' H ' HG12 ' B' ' 69' ' ' VAL . 12.8 m-20 -150.06 141.43 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.028 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.468 ' CE2' ' HB1' ' A' ' 79' ' ' ALA . 37.0 t80 -48.6 -49.65 35.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.352 . . . . 0.0 110.766 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.13 -33.4 72.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.432 ' O ' HD23 ' B' ' 77' ' ' LEU . 17.1 mm-40 -74.18 -30.93 62.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.548 ' O ' HG13 ' B' ' 78' ' ' VAL . 15.5 t80 -70.73 -42.23 70.82 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.966 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.8 m -75.03 -27.93 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.44 -40.33 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.432 HD23 ' O ' ' B' ' 73' ' ' GLU . 2.6 pp -76.99 -34.97 57.49 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.883 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.548 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.4 m -62.03 -41.69 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.348 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.467 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -67.89 -39.88 83.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.838 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.5 -32.68 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.635 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.2 mt -75.36 -29.94 60.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.562 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.9 m -69.57 -55.22 10.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.887 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.0 p -60.06 -27.1 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.929 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.85 -22.49 65.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.792 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.5 t -93.73 -56.17 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.756 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -47.27 -33.88 6.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -52.66 -28.14 20.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.787 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 74.4 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.634 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.856 0.36 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -60.72 -40.36 92.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.631 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.798 ' C ' HD13 ' A' ' 4' ' ' LEU . 2.7 tm? -65.78 -48.39 71.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.213 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.92 -33.54 73.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.489 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.3 m -68.88 -35.12 76.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.57 77.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.528 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.5 mmm -64.8 -38.77 92.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.495 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 7.6 tt0 -55.02 -35.52 64.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.695 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.5 m -59.79 -44.59 93.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.753 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.577 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -55.92 -31.6 63.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.447 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -70.57 -40.05 76.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.69 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 8.7 m-80 -63.91 -55.68 20.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.746 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.0 p -62.33 -39.68 85.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.475 ' N ' HG13 ' A' ' 14' ' ' VAL . 92.8 t80 -60.52 -45.16 94.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.569 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -80.08 -19.18 48.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.783 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.59 -37.45 79.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.625 ' CD2' HD13 ' A' ' 36' ' ' LEU . 66.1 m-70 -91.72 -17.53 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.717 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 47.1 m -63.96 -24.84 67.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.81 -8.02 32.08 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -68.77 -106.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.452 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -87.0 -33.68 19.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.541 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.88 150.41 51.52 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.53 -62.8 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 110.573 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -145.34 -76.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.66 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -83.66 -5.08 59.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.227 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -92.81 147.48 22.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.373 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 tp -146.42 114.92 6.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.92 0.39 . . . . 0.0 110.588 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.51 150.02 23.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.792 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.61 ' HZ2' HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -68.85 -30.25 68.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.976 0.417 . . . . 0.0 110.41 179.333 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.77 -43.21 80.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.513 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -80.15 -28.34 38.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.307 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.66 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.9 tm? -62.17 -56.14 21.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.569 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -52.11 -38.86 58.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.916 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' O ' ' OG1' ' A' ' 39' ' ' THR . 30.7 mt-10 -78.92 -27.21 43.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.625 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.8 tp -66.21 -56.28 12.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.639 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.704 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -52.47 -50.03 63.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.513 -178.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.704 ' N ' HD12 ' A' ' 37' ' ' LEU . 13.5 pt20 -66.04 -25.55 67.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.032 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 55.1 m -73.85 -38.31 64.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.082 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.447 ' HB3' HD12 ' B' ' 4' ' ' LEU . 69.3 mm-40 -93.45 -26.88 17.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.288 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.12 45.08 2.06 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.736 0.303 . . . . 0.0 110.41 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -68.25 -27.59 66.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.19 -52.31 4.93 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.414 ' C ' ' H ' ' A' ' 46' ' ' ASP . 12.6 m-85 -45.89 -64.58 0.71 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.574 0.226 . . . . 0.0 110.917 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.83 -9.53 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.048 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 44' ' ' PHE . 16.4 t70 -105.69 -16.18 14.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.701 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.25 -2.94 21.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.768 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.51 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.9 pp0? -99.53 134.48 42.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.768 0.318 . . . . 0.0 110.735 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -98.42 -3.34 37.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.475 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.51 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 83.3 m-20 -71.63 104.3 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.66 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -80.41 -28.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.423 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -72.78 -39.48 66.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.727 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.12 -51.38 69.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.606 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.11 -31.86 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.716 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -62.42 -40.77 97.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.698 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -72.38 -37.38 68.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.081 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.7 t -77.28 -48.15 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.209 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.657 ' SD ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -60.24 -44.09 95.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.935 -179.271 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.657 ' N ' ' SD ' ' A' ' 58' ' ' MET . 23.5 pttt -68.74 -33.29 73.67 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.513 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -52.85 -28.62 23.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.402 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.3 mt -67.72 -38.63 83.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.628 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.65 -31.93 70.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -80.06 -37.4 33.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.58 ' C ' ' H ' ' A' ' 66' ' ' ASP . 1.4 m120 -87.49 24.19 1.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.674 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . -58.74 4.54 0.09 OUTLIER Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' A' ' 64' ' ' ASN . 50.4 m-20 -34.9 -35.33 0.04 OUTLIER 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.881 0.372 . . . . 0.0 110.519 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 121.15 -4.57 11.28 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -173.6 135.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.158 0.504 . . . . 0.0 111.437 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.61 HG13 ' HZ2' ' A' ' 30' ' ' LYS . 10.7 m -91.51 -172.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.565 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -126.61 154.34 44.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -49.11 -53.2 21.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.622 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -56.18 -33.55 65.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -76.16 -30.81 58.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.652 ' O ' HG13 ' A' ' 78' ' ' VAL . 26.7 t80 -69.02 -40.52 78.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.5 m -75.07 -28.67 21.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.076 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.71 -39.68 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.7 pp -78.24 -35.13 48.7 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.895 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.5 m -61.2 -41.95 91.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.197 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -70.58 -37.36 73.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.494 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.8 -31.27 26.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.44 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.0 mt -75.62 -36.74 60.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.546 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.1 m -66.0 -55.13 18.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.715 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' A' ' 85' ' ' CYS . 12.1 p -54.39 -34.85 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.653 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.12 23.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.549 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.451 ' H ' ' C ' ' A' ' 83' ' ' VAL . 21.8 t -137.03 -65.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.488 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -53.79 -28.47 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -45.48 -28.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.0 t80 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.497 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.818 0.342 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -60.78 -40.42 92.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.665 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.798 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.7 tm? -65.77 -48.31 72.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.188 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.97 -33.61 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.469 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 33.0 m -68.74 -35.25 76.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.562 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.44 -46.52 76.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.662 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 56.4 mmm -64.89 -38.66 91.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.523 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 7.6 tt0 -55.06 -35.6 64.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.596 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.2 m -59.77 -44.6 93.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.786 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.562 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.9 mm? -55.92 -31.55 62.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.49 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -70.58 -40.01 76.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.684 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 8.8 m-80 -64.01 -55.63 20.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.783 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.466 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.3 p -62.26 -39.77 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.75 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.466 ' N ' HG13 ' B' ' 14' ' ' VAL . 92.8 t80 -60.47 -45.09 95.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.658 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -80.05 -19.25 48.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.717 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.55 -37.47 79.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.727 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.615 ' CD2' HD13 ' B' ' 36' ' ' LEU . 66.0 m-70 -91.62 -17.61 25.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.705 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.6 m -63.97 -24.77 67.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.594 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.86 -8.11 32.84 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -68.63 -106.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 110.484 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -86.9 -33.77 19.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.483 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.92 150.49 51.57 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -70.6 -62.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.718 0.294 . . . . 0.0 110.562 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -145.31 -76.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.746 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -83.87 -4.98 59.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.372 . . . . 0.0 110.239 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -92.9 147.51 22.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.281 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 tp -146.39 114.97 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.638 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.59 150.06 24.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.603 ' HZ2' HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -69.11 -30.13 68.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.157 179.559 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.488 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.86 -43.15 80.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.464 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -80.12 -28.29 38.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.986 0.422 . . . . 0.0 110.31 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.658 ' C ' HD13 ' B' ' 33' ' ' LEU . 1.9 tm? -62.37 -55.97 22.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.554 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -52.27 -38.86 59.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.799 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -78.81 -27.4 44.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.794 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.615 HD13 ' CD2' ' B' ' 18' ' ' HIS . 20.5 tp -66.29 -56.04 13.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.691 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.712 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -52.48 -50.2 63.19 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.403 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.712 ' N ' HD12 ' B' ' 37' ' ' LEU . 13.6 pt20 -65.88 -25.64 67.27 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.084 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 55.2 m -73.83 -38.42 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.016 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.433 ' HB3' HD12 ' A' ' 4' ' ' LEU . 69.4 mm-40 -93.52 -26.58 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.299 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.28 44.98 2.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.865 0.364 . . . . 0.0 110.51 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -68.28 -27.5 66.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.999 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.19 -52.34 4.91 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.43 ' C ' ' H ' ' B' ' 46' ' ' ASP . 12.6 m-85 -45.9 -64.55 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.65 0.262 . . . . 0.0 110.944 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.89 -9.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.049 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' B' ' 44' ' ' PHE . 16.4 t70 -105.84 -16.18 14.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.675 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.29 -2.88 21.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.512 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.9 pp0? -99.63 134.38 42.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.745 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -98.36 -3.2 37.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.473 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.512 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 83.8 m-20 -71.81 104.35 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.581 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 57.1 t -80.45 -27.94 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.57 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -72.81 -39.27 66.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.21 -51.41 69.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.584 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.0 p -66.11 -31.85 55.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.788 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -62.3 -40.85 97.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.722 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -72.53 -37.11 68.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.061 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 91.3 t -77.55 -47.97 25.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.173 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.659 ' SD ' ' N ' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -60.15 -44.2 95.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.004 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.659 ' N ' ' SD ' ' B' ' 58' ' ' MET . 23.6 pttt -68.78 -33.29 73.62 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.493 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -52.86 -28.46 23.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.365 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 65.8 mt -67.94 -38.45 82.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.71 -32.14 70.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.698 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -80.05 -37.4 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.553 ' C ' ' H ' ' B' ' 66' ' ' ASP . 1.4 m120 -87.45 24.17 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.778 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -58.73 4.62 0.09 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.553 ' H ' ' C ' ' B' ' 64' ' ' ASN . 50.6 m-20 -34.91 -35.4 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.892 0.377 . . . . 0.0 110.511 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 121.18 -4.45 11.27 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -173.55 136.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 0.0 111.418 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.603 HG13 ' HZ2' ' B' ' 30' ' ' LYS . 10.4 m -92.17 -172.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.52 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -126.53 154.41 43.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.197 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -49.16 -53.1 22.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.963 0.411 . . . . 0.0 110.646 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -56.29 -33.57 65.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.486 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -76.13 -30.79 58.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.641 ' O ' HG13 ' B' ' 78' ' ' VAL . 27.1 t80 -68.99 -40.55 78.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 31.7 m -75.16 -28.54 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.097 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.82 -39.74 31.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.418 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.7 pp -78.06 -35.24 49.79 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.046 -0.662 . . . . 0.0 111.945 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.641 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.5 m -61.13 -41.91 91.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.281 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.474 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -70.59 -37.36 73.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.519 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.72 -31.27 25.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 85.4 mt -75.53 -36.91 60.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.559 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.4 m -65.77 -55.28 18.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.76 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' B' ' 85' ' ' CYS . 12.4 p -54.29 -34.94 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.12 23.69 0.18 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.451 ' H ' ' C ' ' B' ' 83' ' ' VAL . 22.4 t -137.11 -65.29 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.529 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -53.72 -28.46 34.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -45.48 -28.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.578 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 t80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.671 0.272 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -64.19 -29.21 70.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.625 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -64.35 -48.84 74.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.347 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.62 -31.33 69.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.386 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.1 m -68.96 -35.74 77.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.665 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.21 73.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.527 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.2 mmm -68.07 -40.47 82.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.509 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.89 -34.78 60.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.642 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.6 m -59.18 -43.09 92.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.704 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.602 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -61.53 -31.51 71.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.7 mm -69.67 -39.82 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.807 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -60.08 -55.38 34.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.706 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.3 p -63.08 -41.57 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.812 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.487 ' N ' HG13 ' A' ' 14' ' ' VAL . 83.4 t80 -55.79 -41.74 74.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.569 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -82.16 -22.18 36.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.566 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.04 -35.73 78.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.729 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.675 ' CD2' HD13 ' A' ' 36' ' ' LEU . 57.6 m-70 -91.98 -7.37 49.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.576 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -76.92 -4.1 42.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.485 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.33 -9.79 66.66 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -68.2 -70.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.734 0.302 . . . . 0.0 110.51 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -115.95 -15.61 11.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.459 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.69 -153.85 19.77 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -138.21 -63.06 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.511 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.515 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 13.0 ptmt -154.8 33.63 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.615 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER 171.53 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.099 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 8.9 mtmp? -63.98 147.16 52.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.495 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.402 HD12 ' H ' ' A' ' 29' ' ' SER . 31.0 tp -147.08 129.84 16.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.502 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.402 ' H ' HD12 ' A' ' 28' ' ' LEU . 17.6 m -74.26 148.9 41.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.051 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -69.04 -39.32 79.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.582 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.47 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.83 -38.8 73.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.582 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -80.17 -43.35 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.908 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.821 HD23 ' O ' ' A' ' 33' ' ' LEU . 2.9 tt -62.28 -33.51 74.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.772 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -51.89 -45.41 64.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.399 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.449 ' O ' ' OG1' ' A' ' 39' ' ' THR . 50.1 mt-10 -79.3 -27.39 42.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.378 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.675 HD13 ' CD2' ' A' ' 18' ' ' HIS . 47.3 tp -58.06 -55.64 32.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.937 -178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 38' ' ' GLN . 2.9 pp -50.59 -47.79 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.433 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.659 ' N ' HD12 ' A' ' 37' ' ' LEU . 17.2 pt20 -75.46 -25.68 57.63 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.189 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 44.4 m -64.82 -46.94 79.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.283 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -84.53 -26.9 27.73 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.428 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 41' ' ' LEU . 6.2 mp -116.23 43.95 2.07 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.792 0.33 . . . . 0.0 110.577 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.2 p -68.46 -27.23 65.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.22 -50.71 9.74 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.424 ' C ' ' H ' ' A' ' 46' ' ' ASP . 13.2 m-85 -46.35 -65.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.631 0.253 . . . . 0.0 110.874 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.21 -8.51 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.78 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 44' ' ' PHE . 21.9 t0 -105.65 -14.36 15.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.67 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.31 -2.99 21.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.735 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.474 ' OE1' ' O ' ' A' ' 50' ' ' ASP . 5.3 pp0? -102.85 138.73 39.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.893 0.378 . . . . 0.0 110.658 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -95.84 -4.14 44.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.598 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.474 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 72.3 m-20 -75.46 92.71 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.585 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.435 ' O ' ' CG ' ' A' ' 55' ' ' ASP . 76.0 t -73.79 -32.59 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.662 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -72.56 -36.41 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.75 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.26 -50.09 64.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.7 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.11 -34.73 65.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.404 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 51' ' ' VAL . 56.1 m-20 -57.02 -42.87 81.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.488 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -64.81 -39.29 93.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.539 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.439 HG11 HD21 ' A' ' 81' ' ' LEU . 78.4 t -73.82 -30.67 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.59 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.4 ttt -72.61 -51.49 19.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.386 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.0 -31.5 72.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.495 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.31 -28.64 29.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.258 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.73 -36.95 76.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -68.5 -28.52 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -75.47 -40.79 56.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.53 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -89.3 49.36 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.711 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . -83.31 8.02 65.85 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' GLY . 9.9 t70 -36.49 -35.03 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.887 0.375 . . . . 0.0 110.477 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 120.25 -14.56 10.19 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -151.12 132.36 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.975 0.417 . . . . 0.0 110.556 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.584 HG21 HD13 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -92.52 -154.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.051 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.446 ' H ' HG12 ' A' ' 69' ' ' VAL . 59.1 t0 -147.28 138.27 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.933 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -48.52 -49.27 36.79 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.596 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -52.68 -35.97 56.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 110.407 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -75.84 -30.69 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.593 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.679 ' O ' HG13 ' A' ' 78' ' ' VAL . 21.1 t80 -64.9 -40.76 95.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.889 0.376 . . . . 0.0 110.794 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.61 -30.09 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.71 -39.1 31.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.7 pp -78.17 -34.99 49.3 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.856 -178.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.8 m -61.2 -41.69 90.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.474 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.458 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -72.17 -39.11 68.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.74 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.14 -28.98 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.439 HD21 HG11 ' A' ' 57' ' ' VAL . 79.2 mt -75.25 -33.73 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.5 m -69.56 -55.62 9.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.758 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 p -57.93 -26.17 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.579 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.58 7.35 5.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.656 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t -127.38 -53.63 1.37 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.516 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -52.05 -30.95 27.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.584 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -55.35 -11.65 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.634 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 93.1 t80 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.775 -179.87 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.761 0.315 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -64.29 -29.28 70.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.494 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.575 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -64.39 -48.72 74.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.417 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.74 -31.07 68.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.484 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 57.9 m -69.08 -35.72 76.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.638 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.35 -42.18 73.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 69.7 mmm -68.07 -40.56 82.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.575 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.71 -34.93 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.651 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.4 m -59.07 -43.1 91.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.761 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.613 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.7 mm? -61.57 -31.5 71.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.435 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.0 mm -69.69 -39.88 78.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.709 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -60.01 -55.4 34.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.482 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.3 p -63.11 -41.63 93.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.482 ' N ' HG13 ' B' ' 14' ' ' VAL . 83.5 t80 -55.71 -41.85 74.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -81.99 -22.25 36.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.62 78.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.766 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.675 ' CD2' HD13 ' B' ' 36' ' ' LEU . 58.2 m-70 -91.99 -7.35 49.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.696 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.9 m -76.91 -4.12 42.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.45 -9.66 66.59 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -68.2 -70.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.32 . . . . 0.0 110.462 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -115.87 -15.67 11.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.69 -153.89 19.85 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -138.18 -63.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 0.0 110.555 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.508 ' O ' ' CD2' ' B' ' 26' ' ' TYR . 12.9 ptmt -154.91 33.45 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.683 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' B' ' 25' ' ' LYS . 0.5 OUTLIER 171.64 -48.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.237 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.421 ' CB ' ' NZ ' ' B' ' 27' ' ' LYS . 8.9 mtmp? -64.01 147.08 52.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.47 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.7 tp -146.97 129.66 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.625 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 17.8 m -74.21 148.92 41.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.093 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -69.12 -39.23 79.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.563 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.476 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.98 -38.63 73.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.595 -179.571 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -80.27 -43.33 21.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.806 HD23 ' O ' ' B' ' 33' ' ' LEU . 2.9 tt -62.22 -33.71 75.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.892 0.377 . . . . 0.0 110.785 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -51.79 -45.46 63.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.404 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' B' ' 39' ' ' THR . 50.1 mt-10 -79.35 -27.24 42.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.326 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.675 HD13 ' CD2' ' B' ' 18' ' ' HIS . 47.3 tp -58.1 -55.91 28.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.781 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.655 HD12 ' N ' ' B' ' 38' ' ' GLN . 2.9 pp -50.47 -47.82 56.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.403 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.655 ' N ' HD12 ' B' ' 37' ' ' LEU . 17.2 pt20 -75.45 -25.64 57.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.782 0.325 . . . . 0.0 111.177 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 44.7 m -64.92 -46.86 79.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.25 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -84.73 -26.85 27.37 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.348 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.32 44.11 2.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.868 0.366 . . . . 0.0 110.648 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.3 p -68.59 -27.31 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.619 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.23 -50.63 9.89 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.437 ' C ' ' H ' ' B' ' 46' ' ' ASP . 13.1 m-85 -46.4 -65.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.618 0.247 . . . . 0.0 110.74 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.32 -8.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.764 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' B' ' 44' ' ' PHE . 21.9 t0 -105.64 -14.38 15.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.671 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.33 -2.92 21.73 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.679 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.469 ' OE1' ' O ' ' B' ' 50' ' ' ASP . 5.3 pp0? -102.96 138.64 39.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -95.81 -4.07 44.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.659 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.469 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 71.9 m-20 -75.44 92.64 2.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.521 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.444 ' O ' ' CG ' ' B' ' 55' ' ' ASP . 75.3 t -73.96 -32.37 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.627 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -72.71 -36.43 67.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.667 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -50.05 65.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -69.17 -34.7 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.435 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' B' ' 51' ' ' VAL . 56.2 m-20 -56.87 -42.94 80.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.529 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -64.81 -39.28 93.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.445 HG11 HD21 ' B' ' 81' ' ' LEU . 79.4 t -73.87 -30.51 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.689 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.5 ttt -72.56 -51.48 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.409 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -65.07 -31.51 72.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.444 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.36 -28.51 29.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.287 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.9 -36.95 75.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.768 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -68.49 -28.49 67.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.579 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -75.45 -40.77 57.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.575 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -89.33 49.46 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.576 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' B' ' 66' ' ' ASP . . . -83.37 8.0 66.15 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' B' ' 65' ' ' GLY . 9.9 t70 -36.57 -34.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.771 0.32 . . . . 0.0 110.424 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 120.25 -14.43 10.2 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -151.2 132.36 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.968 0.413 . . . . 0.0 110.473 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.581 HG21 HD13 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -93.32 -154.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.837 -179.715 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.438 ' H ' HG12 ' B' ' 69' ' ' VAL . 59.2 t0 -147.28 138.47 23.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.932 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -48.58 -49.24 37.5 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.563 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -52.83 -35.89 57.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 110.351 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -75.88 -30.76 58.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.629 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.658 ' O ' HG13 ' B' ' 78' ' ' VAL . 21.4 t80 -64.8 -40.78 95.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.816 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.6 -30.08 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.71 -39.05 31.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.402 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.7 pp -78.17 -34.92 49.38 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.039 -0.664 . . . . 0.0 111.922 -178.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.658 HG13 ' O ' ' B' ' 74' ' ' TYR . 28.2 m -61.24 -41.77 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.349 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.465 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -72.09 -39.13 69.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.753 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.23 -28.91 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.505 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.445 HD21 HG11 ' B' ' 57' ' ' VAL . 78.3 mt -75.31 -33.5 61.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.71 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.1 m -69.68 -55.62 9.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 p -57.92 -26.16 27.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.612 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.49 7.19 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.633 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t -127.31 -53.69 1.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.522 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -52.17 -30.88 28.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -55.41 -11.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.756 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 93.1 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.702 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.827 0.346 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.492 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 56.7 mp0 -57.6 -39.37 76.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.528 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -60.48 -48.46 81.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.238 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.92 -32.23 73.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.232 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.2 m -69.42 -34.94 75.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.703 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.34 -46.57 76.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.546 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.2 mmm -67.1 -36.83 82.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.441 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -56.54 -34.03 66.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.627 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.0 m -60.79 -43.23 98.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.684 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.589 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -58.88 -31.39 68.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.474 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.8 mm -70.24 -41.94 78.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.803 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -59.87 -55.45 34.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.04 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 15' ' ' PHE . 12.5 p -62.1 -39.95 85.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.671 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.473 ' N ' HG13 ' A' ' 14' ' ' VAL . 72.3 t80 -57.41 -42.14 81.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.58 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -79.1 -18.29 53.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.657 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.7 71.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.421 ' CD2' HD13 ' A' ' 36' ' ' LEU . 20.8 m-70 -89.66 -10.4 45.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.781 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.6 m -76.12 -2.21 29.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.541 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.56 3.88 68.89 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -75.52 -81.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.61 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 23' ' ' GLY . 18.0 mt-10 -102.67 -51.62 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.52 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.49 ' O ' ' OD1' ' A' ' 24' ' ' ASP . . . -57.47 -129.57 0.01 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 23' ' ' GLY . 77.7 m-20 -150.8 -99.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.559 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -97.16 -74.12 0.58 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.632 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -93.42 24.91 3.67 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.404 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HB2' ' H ' ' A' ' 24' ' ' ASP . 42.8 mtmt -118.74 127.94 54.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.448 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' N ' ' OE2' ' A' ' 68' ' ' GLU . 36.1 tp -136.37 123.01 21.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -75.24 147.01 40.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.949 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.537 ' NZ ' ' OD1' ' A' ' 64' ' ' ASN . 39.3 tptt -67.93 -29.91 69.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.379 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -56.78 -44.94 82.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.907 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -80.43 -28.58 37.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.815 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.7 HD13 ' C ' ' A' ' 33' ' ' LEU . 3.0 tm? -55.14 -49.67 71.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.596 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -51.21 -35.4 36.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.647 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 39' ' ' THR . 70.2 mm-40 -79.36 -27.56 41.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 18' ' ' HIS . 19.7 tp -65.33 -56.36 13.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.565 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -51.11 -49.44 60.75 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.19 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 37' ' ' LEU . 7.2 pt20 -69.07 -25.65 64.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.961 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 21.4 m -71.31 -45.13 63.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.212 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -88.44 -27.21 21.68 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.386 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.98 47.27 1.85 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.252 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 p -67.74 -39.43 84.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.593 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.67 -33.04 17.1 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -54.59 30.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.707 0.289 . . . . 0.0 110.24 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.17 -8.87 49.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 33.1 t0 -94.43 -13.68 25.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.9 -1.62 48.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.781 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.583 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -104.74 136.25 44.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.646 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -95.01 -6.1 43.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.589 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.583 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 69.7 m-20 -70.02 106.22 3.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.572 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 82.2 t -78.51 -30.26 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -72.39 -36.61 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.683 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -51.42 69.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.69 -34.23 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -56.67 -43.71 80.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.472 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.92 -37.52 87.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -76.6 -30.55 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.582 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.2 ttt -74.69 -49.99 19.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.318 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -63.97 -31.76 73.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.25 -35.75 60.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.577 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.21 -38.63 87.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.489 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -72.41 -28.49 63.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.613 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.5 -38.4 71.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.19 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.553 ' C ' ' H ' ' A' ' 66' ' ' ASP . 1.1 m-80 -65.51 -96.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.391 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . 70.08 -24.82 0.43 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.553 ' H ' ' C ' ' A' ' 64' ' ' ASN . 54.5 t0 -37.56 -32.49 0.05 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.972 0.415 . . . . 0.0 110.161 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 101.24 -9.91 57.93 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.491 ' OE2' ' N ' ' A' ' 28' ' ' LEU . 30.3 tp10 -143.06 132.51 23.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.172 0.511 . . . . 0.0 110.46 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.559 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.4 OUTLIER -92.59 -154.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.211 -179.659 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.559 ' H ' HG12 ' A' ' 69' ' ' VAL . 11.5 t70 -152.08 140.03 20.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.97 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -48.68 -52.93 20.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.951 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -58.37 -33.75 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.798 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.1 mm-40 -75.59 -30.89 59.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.465 ' CE1' HG11 ' A' ' 78' ' ' VAL . 8.9 t80 -69.02 -42.96 75.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.867 0.365 . . . . 0.0 110.92 -179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.01 -27.67 27.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -75.56 -37.44 37.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.248 -178.409 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.8 pp -76.2 -42.35 46.5 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.939 -0.704 . . . . 0.0 111.546 -179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.603 ' N ' HD12 ' A' ' 77' ' ' LEU . 19.1 m -59.36 -35.61 59.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.307 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.77 -40.65 69.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.557 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.84 -28.26 22.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.618 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.4 mt -72.52 -34.1 67.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.584 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.6 m -70.42 -54.16 13.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.5 -24.83 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.614 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.51 11.12 4.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.787 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.4 t -134.57 -49.92 0.78 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.649 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -52.18 -32.76 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.61 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -63.24 -12.04 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.461 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.2 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.683 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.734 0.302 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.48 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 56.7 mp0 -57.55 -39.48 76.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.626 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.4 OUTLIER -60.26 -48.6 81.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.242 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.04 -32.19 73.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.054 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.1 m -69.39 -34.97 75.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.715 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.47 -46.54 76.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.481 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 58.2 mmm -67.13 -36.65 82.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.473 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.401 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 6.1 tt0 -56.71 -33.96 66.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.542 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 22.7 m -60.78 -43.18 98.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.77 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.593 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.9 mm? -58.98 -31.34 68.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.49 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.0 mm -70.31 -41.92 78.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.713 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 53.3 m-80 -59.8 -55.63 31.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.871 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.456 HG13 ' N ' ' B' ' 15' ' ' PHE . 12.3 p -62.06 -39.72 84.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.829 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.456 ' N ' HG13 ' B' ' 14' ' ' VAL . 72.8 t80 -57.7 -42.06 82.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.449 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -79.11 -18.27 53.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.631 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.65 71.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.421 ' CD2' HD13 ' B' ' 36' ' ' LEU . 20.8 m-70 -89.66 -10.44 45.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.8 m -76.17 -2.16 29.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.397 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.47 3.95 69.26 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -75.61 -81.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 110.617 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' B' ' 23' ' ' GLY . 18.2 mt-10 -102.72 -51.58 3.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.481 ' O ' ' OD1' ' B' ' 24' ' ' ASP . . . -57.46 -129.33 0.01 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.481 ' OD1' ' O ' ' B' ' 23' ' ' GLY . 77.6 m-20 -150.97 -99.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.778 0.323 . . . . 0.0 110.549 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -97.08 -74.21 0.58 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.637 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -93.34 24.79 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.334 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.412 ' HB2' ' H ' ' B' ' 24' ' ' ASP . 42.8 mtmt -118.72 127.92 54.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.434 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.489 ' N ' ' OE2' ' B' ' 68' ' ' GLU . 36.1 tp -136.32 123.1 21.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.349 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.0 p -75.44 146.99 40.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.016 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.527 ' NZ ' ' OD1' ' B' ' 64' ' ' ASN . 39.2 tptt -67.88 -30.01 69.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.34 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -56.62 -45.06 81.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.919 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -80.49 -28.59 37.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.703 ' C ' HD13 ' B' ' 33' ' ' LEU . 3.0 tm? -54.99 -49.81 70.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.579 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -51.0 -35.53 34.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.688 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.446 ' O ' ' OG1' ' B' ' 39' ' ' THR . 70.1 mm-40 -79.44 -27.5 41.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' B' ' 18' ' ' HIS . 19.9 tp -65.24 -56.4 12.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.644 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.68 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.34 -49.28 61.72 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.181 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.68 ' N ' HD12 ' B' ' 37' ' ' LEU . 7.2 pt20 -69.0 -25.65 64.62 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.987 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 21.3 m -71.31 -45.07 63.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.252 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -88.58 -27.18 21.54 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.257 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.93 47.25 1.85 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.83 0.347 . . . . 0.0 110.203 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 p -67.76 -39.36 84.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.631 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.82 -32.96 16.82 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -54.49 32.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.253 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.44 -8.56 47.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.777 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.446 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 33.8 t0 -94.7 -13.71 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.588 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.01 -1.57 48.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.727 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.584 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 0.9 OUTLIER -104.65 136.18 44.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.86 0.362 . . . . 0.0 110.736 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -94.91 -6.11 43.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.584 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 69.6 m-20 -70.01 106.23 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.637 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 81.8 t -78.52 -30.24 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.493 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -72.38 -36.72 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.645 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.5 69.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.72 -34.25 68.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -56.66 -43.73 80.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.465 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.9 -37.55 87.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 62.1 t -76.49 -30.62 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.585 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.2 ttt -74.66 -49.96 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.354 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -63.96 -31.66 72.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.572 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.37 -35.71 60.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.58 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.27 -38.6 87.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.516 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -72.3 -28.69 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.583 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -71.47 -38.35 71.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.25 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.552 ' C ' ' H ' ' B' ' 66' ' ' ASP . 1.1 m-80 -65.4 -96.65 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.419 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . 70.11 -24.83 0.43 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.552 ' H ' ' C ' ' B' ' 64' ' ' ASN . 54.5 t0 -37.56 -32.47 0.05 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.906 0.384 . . . . 0.0 110.102 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 101.27 -10.69 58.24 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' B' ' 28' ' ' LEU . 30.0 tp10 -141.75 132.89 26.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.944 0.402 . . . . 0.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.554 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.5 OUTLIER -93.9 -154.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.001 -179.642 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.554 ' H ' HG12 ' B' ' 69' ' ' VAL . 11.6 t70 -151.96 140.2 20.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.918 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -48.6 -53.0 20.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.96 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -58.4 -33.73 69.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.425 ' O ' HG12 ' B' ' 76' ' ' VAL . 71.1 mm-40 -75.58 -30.91 59.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.011 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.453 ' CE1' HG11 ' B' ' 78' ' ' VAL . 8.9 t80 -69.18 -42.66 75.56 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.961 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -72.17 -27.64 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.425 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.7 OUTLIER -75.5 -37.38 37.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 120.411 -0.515 . . . . 0.0 112.354 -178.439 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.593 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.8 pp -76.24 -42.33 46.2 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.554 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.593 ' N ' HD12 ' B' ' 77' ' ' LEU . 19.0 m -59.37 -35.5 58.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.368 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.92 -40.59 68.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.91 -28.16 22.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.601 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.1 mt -72.52 -34.14 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.598 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.6 m -70.51 -54.12 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.792 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.56 -24.78 34.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.57 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.58 11.12 4.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.3 t -134.49 -49.86 0.78 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.603 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -52.38 -32.61 39.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.579 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -63.18 -12.13 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.587 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 50.8 t80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.551 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.686 0.279 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.486 ' O ' ' OG1' ' A' ' 6' ' ' THR . 85.1 tt0 -56.25 -34.79 66.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.585 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.795 ' C ' HD13 ' A' ' 4' ' ' LEU . 2.7 tm? -68.56 -47.58 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.222 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -61.92 -32.89 73.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 17.6 p -69.02 -36.91 78.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.654 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.43 72.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.421 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.0 mmm -69.27 -38.44 78.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.518 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.7 -35.1 60.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.7 m -60.36 -43.79 96.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.72 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -56.28 -31.21 63.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.583 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.2 mm -71.28 -44.5 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -60.29 -55.66 31.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.781 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.516 HG13 ' N ' ' A' ' 15' ' ' PHE . 13.2 p -62.36 -41.1 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.516 ' N ' HG13 ' A' ' 14' ' ' VAL . 81.2 t80 -59.76 -42.19 92.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.592 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' SER . 3.7 t-80 -73.23 -47.36 43.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.5 -38.71 6.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.807 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.579 ' CD2' HD13 ' A' ' 36' ' ' LEU . 60.6 m-70 -88.21 -11.92 45.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.738 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' HIS . 38.3 m -73.85 0.66 12.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.452 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.82 -13.05 83.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.58 ' O ' ' N ' ' A' ' 23' ' ' GLY . 26.1 mmtp -84.0 109.77 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.646 0.26 . . . . 0.0 110.512 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 23' ' ' GLY . 67.6 mm-40 59.93 -70.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.65 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 21' ' ' LYS . . . -35.52 158.08 0.01 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -82.99 -67.63 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.656 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -141.51 -63.68 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -91.62 5.89 47.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -103.37 136.35 43.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.527 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -140.16 120.95 14.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.182 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -57.46 144.9 34.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.298 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HD3' HG22 ' A' ' 69' ' ' VAL . 48.9 tptt -65.76 -35.94 82.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.125 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -57.28 -42.39 81.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.837 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -80.24 -28.68 38.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.74 HD13 ' C ' ' A' ' 33' ' ' LEU . 3.1 tm? -62.92 -55.31 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.638 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -52.03 -34.65 44.09 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.628 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.42 -27.33 41.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' A' ' 18' ' ' HIS . 21.7 tp -65.22 -55.38 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.752 -179.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -50.72 -50.1 56.07 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.169 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.707 ' N ' HD12 ' A' ' 37' ' ' LEU . 12.8 pt20 -65.86 -25.66 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 110.793 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.8 m -75.26 -38.1 60.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.175 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -93.69 -27.32 16.61 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.508 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.4 HD22 HD12 ' A' ' 81' ' ' LEU . 7.0 mp -115.72 43.99 1.98 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 110.456 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.0 p -68.0 -27.25 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.754 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.48 -50.93 6.91 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' A' ' 46' ' ' ASP . 15.3 m-85 -48.77 -64.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.676 0.274 . . . . 0.0 110.813 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.46 -9.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.795 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 44' ' ' PHE . 56.1 t0 -105.47 -16.76 14.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.643 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.93 -2.84 28.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.609 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.562 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.8 pp0? -105.16 143.81 32.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.689 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -109.45 2.6 20.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.492 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.562 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 88.4 m-20 -73.33 106.07 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.744 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.4 t -73.47 -34.45 42.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.71 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -70.23 -37.2 74.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.48 -51.4 70.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.787 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.12 -33.04 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.608 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.1 -42.72 95.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.605 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -62.89 -38.22 90.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.685 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -77.21 -30.39 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.588 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.1 ttt -68.68 -50.94 47.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.241 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -66.37 -31.73 72.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.58 -31.3 46.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.602 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.47 -35.99 82.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -74.73 -27.81 60.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.76 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.14 -40.78 86.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.133 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -100.4 104.95 16.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.372 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -123.57 -4.54 8.12 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -41.84 -20.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.95 0.405 . . . . 0.0 110.372 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 99.65 -9.89 60.65 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -150.91 132.85 15.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.379 . . . . 0.0 110.635 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.472 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -92.41 -154.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.133 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.472 ' H ' HG12 ' A' ' 69' ' ' VAL . 18.8 t70 -142.96 148.24 36.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.216 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -50.5 -47.38 57.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -54.85 -33.51 61.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -75.49 -30.58 59.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.705 ' O ' HG13 ' A' ' 78' ' ' VAL . 29.4 t80 -69.39 -38.0 77.79 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.24 -179.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -75.58 -28.64 19.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.57 -40.36 33.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -78.58 -35.85 45.26 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.303 -0.559 . . . . 0.0 112.254 -178.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 74' ' ' TYR . 29.5 m -58.1 -40.17 75.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.498 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.444 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -73.89 -40.57 63.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.674 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.79 -29.06 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.677 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.4 HD12 HD22 ' A' ' 41' ' ' LEU . 95.2 mt -75.53 -35.87 60.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.691 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.8 m -66.25 -55.61 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.898 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -51.84 -25.52 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.26 28.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 t -146.81 -51.75 0.21 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.516 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -51.74 -31.82 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -44.43 -26.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.534 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.9 t80 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.517 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.471 ' O ' ' OG1' ' B' ' 6' ' ' THR . 85.1 tt0 -56.15 -34.9 66.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.794 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.7 tm? -68.5 -47.44 67.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -61.94 -33.0 73.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.515 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 17.8 p -69.01 -36.76 78.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.7 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.59 -41.33 73.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 49.0 mmm -69.36 -38.48 78.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.477 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.69 -35.0 60.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.557 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.9 m -60.4 -43.81 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.537 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.7 mm? -56.24 -31.42 63.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.485 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 10.0 mm -71.12 -44.53 74.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -60.32 -55.65 31.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.506 HG13 ' N ' ' B' ' 15' ' ' PHE . 13.0 p -62.19 -41.38 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.574 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.506 ' N ' HG13 ' B' ' 14' ' ' VAL . 81.1 t80 -59.63 -42.13 92.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' B' ' 19' ' ' SER . 3.8 t-80 -73.34 -47.35 43.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.45 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.57 -38.69 6.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.779 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.575 ' CD2' HD13 ' B' ' 36' ' ' LEU . 60.5 m-70 -88.14 -11.86 45.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.705 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.432 ' N ' ' O ' ' B' ' 16' ' ' HIS . 38.5 m -73.9 0.66 12.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.489 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.88 -13.04 83.83 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.573 ' O ' ' N ' ' B' ' 23' ' ' GLY . 26.1 mmtp -83.89 109.71 17.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.481 ' O ' ' O ' ' B' ' 23' ' ' GLY . 67.8 mm-40 59.95 -70.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.623 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' B' ' 21' ' ' LYS . . . -35.54 158.14 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -83.02 -67.55 0.78 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.748 0.309 . . . . 0.0 110.752 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -141.51 -63.52 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.482 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -91.75 5.82 48.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.468 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -103.17 136.47 42.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.553 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -140.23 120.73 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.276 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -57.2 144.94 33.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.307 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.41 ' HD3' HG22 ' B' ' 69' ' ' VAL . 48.9 tptt -65.84 -36.03 82.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.054 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -57.35 -42.24 81.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.869 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -80.36 -28.53 38.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.038 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.746 ' C ' HD13 ' B' ' 33' ' ' LEU . 3.1 tm? -63.02 -55.15 28.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.686 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -52.13 -34.75 45.84 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.565 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.45 ' O ' ' OG1' ' B' ' 39' ' ' THR . 43.8 mt-10 -79.25 -27.4 42.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.575 HD13 ' CD2' ' B' ' 18' ' ' HIS . 22.0 tp -65.1 -55.39 19.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.839 -179.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.72 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -50.84 -50.03 57.52 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.147 -178.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.72 ' N ' HD12 ' B' ' 37' ' ' LEU . 12.8 pt20 -65.88 -25.58 67.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.819 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 96.8 m -75.3 -38.06 60.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.235 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -93.87 -27.22 16.54 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.425 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -115.81 44.0 1.99 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.741 0.305 . . . . 0.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.1 p -67.97 -27.3 66.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.807 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.5 -50.89 6.94 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.431 ' C ' ' H ' ' B' ' 46' ' ' ASP . 15.6 m-85 -48.82 -64.69 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.756 -0.261 . . . . 0.0 110.931 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.6 -9.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.766 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' B' ' 44' ' ' PHE . 56.1 t0 -105.51 -16.71 14.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.604 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.9 -2.78 29.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.707 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.566 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.8 pp0? -105.27 143.81 32.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.621 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -109.41 2.54 20.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.497 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.566 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 88.4 m-20 -73.27 106.04 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.689 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 94.9 t -73.44 -34.48 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.751 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -70.28 -37.25 74.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.713 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.39 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.722 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.08 -33.11 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.08 -42.73 95.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.575 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -62.96 -38.23 90.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -77.14 -30.57 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.2 ttt -68.58 -50.98 47.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.259 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -66.39 -31.53 72.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.476 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.57 -31.58 47.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.489 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 17.1 mt -64.33 -35.99 82.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.481 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.8 -27.72 60.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.738 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.21 -40.73 86.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.216 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -100.42 105.0 16.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.353 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -123.54 -4.61 8.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -41.65 -20.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.995 0.426 . . . . 0.0 110.385 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 99.59 -9.63 60.64 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -150.97 133.15 15.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.93 0.395 . . . . 0.0 110.611 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.468 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.3 OUTLIER -93.6 -154.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.806 -179.547 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.468 ' H ' HG12 ' B' ' 69' ' ' VAL . 18.8 t70 -143.0 148.3 36.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.216 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.4 ' CE2' ' HB1' ' A' ' 79' ' ' ALA . 43.0 t80 -50.59 -47.25 58.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.854 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -54.96 -33.5 62.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.777 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -75.58 -30.58 59.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.157 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.696 ' O ' HG13 ' B' ' 78' ' ' VAL . 29.8 t80 -69.27 -38.02 78.18 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.396 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.56 -28.58 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -40.35 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.422 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -78.62 -35.97 44.8 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.319 -0.552 . . . . 0.0 112.134 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.696 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.4 m -58.07 -40.16 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.49 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.437 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -73.89 -40.49 63.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.751 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.97 -28.88 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.606 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -75.56 -35.8 60.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.784 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.1 m -66.36 -55.56 15.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.772 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -52.03 -25.4 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.571 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.36 28.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.645 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.8 t -146.89 -51.6 0.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -51.67 -31.94 27.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.515 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -44.46 -26.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.589 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 88.2 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.648 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.809 0.338 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -70.49 -32.0 69.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.636 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.582 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -61.72 -48.69 79.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.422 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.08 -31.23 67.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.38 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.9 m -68.97 -35.25 76.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.61 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.16 76.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.623 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.5 mmm -68.83 -33.36 73.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -58.16 -35.64 71.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.705 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.6 m -59.8 -38.24 81.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.607 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.6 mm? -64.78 -31.29 72.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.632 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.0 mm -71.01 -42.22 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.782 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -59.96 -55.44 33.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.3 p -62.85 -41.82 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.713 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.492 ' N ' HG13 ' A' ' 14' ' ' VAL . 94.0 t80 -59.47 -42.21 91.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.554 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -77.0 -24.73 52.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.606 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.04 96.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.479 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.628 ' NE2' HD13 ' A' ' 36' ' ' LEU . 56.7 m-70 -86.65 -12.93 47.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.366 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.5 m -65.8 -27.48 68.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.444 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.06 -10.66 78.29 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -61.86 -73.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.629 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -121.03 -35.97 3.22 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.84 171.63 4.51 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' A' ' 26' ' ' TYR . 81.2 m-20 -90.8 67.63 6.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.601 0.238 . . . . 0.0 110.625 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mttm 68.29 -44.67 0.51 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.039 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.428 ' H ' ' C ' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -100.17 -50.1 4.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.704 0.288 . . . . 0.0 110.485 -179.698 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HB2' ' H ' ' A' ' 24' ' ' ASP . 39.7 mtmt -61.91 170.51 2.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.55 HD23 HD12 ' A' ' 33' ' ' LEU . 26.8 tp -155.19 126.22 7.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.19 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.7 p -68.69 150.33 48.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.392 . . . . 0.0 111.221 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -65.99 -36.15 82.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.293 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.02 -39.35 74.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.739 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -81.63 -40.01 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.564 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.55 HD12 HD23 ' A' ' 28' ' ' LEU . 6.9 tt -64.6 -43.5 93.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.844 -178.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.445 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -52.13 -40.46 61.37 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.855 -179.329 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 94.4 mt-10 -79.9 -27.25 39.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.173 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.628 HD13 ' NE2' ' A' ' 18' ' ' HIS . 35.7 tp -63.97 -50.86 66.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.879 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.1 pp -50.63 -44.78 57.38 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.248 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.537 ' N ' HD12 ' A' ' 37' ' ' LEU . 18.5 pt20 -77.12 -25.46 52.13 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.987 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.1 m -66.76 -43.53 83.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.59 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -88.06 -26.82 22.35 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.509 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.61 44.97 1.91 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.732 0.301 . . . . 0.0 110.515 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -68.68 -28.07 66.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.37 -46.38 26.55 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.439 -0.664 . . . . 0.0 111.439 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.507 ' CZ ' HG23 ' A' ' 82' ' ' THR . 10.2 m-85 -53.29 -62.68 1.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.812 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -56.7 -9.09 0.68 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.8 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -103.22 -11.34 18.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.525 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.0 -2.5 15.06 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.965 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.7 pp0? -97.84 135.72 39.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.706 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -98.59 -15.28 19.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.503 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.517 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 85.9 m-20 -61.85 105.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.646 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.443 ' O ' ' CG ' ' A' ' 55' ' ' ASP . 78.9 t -78.89 -31.84 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.648 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -72.51 -33.36 66.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.705 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.72 -47.74 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.6 p -72.28 -32.13 41.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.667 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 51' ' ' VAL . 87.5 m-20 -57.48 -49.54 75.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.548 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -64.21 -33.86 76.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.673 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -76.96 -30.57 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.0 ttp -69.69 -51.54 33.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.455 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -64.12 -32.26 73.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.488 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.548 ' OE2' ' ND2' ' A' ' 64' ' ' ASN . 13.7 tm-20 -53.53 -34.86 59.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.7 mt -71.12 -28.95 64.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.95 -49.83 41.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.112 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -65.27 -36.86 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.772 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.548 ' ND2' ' OE2' ' A' ' 60' ' ' GLU . 36.4 m-80 -86.86 37.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.532 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.87 17.59 49.58 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.77 -42.15 34.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.547 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.27 -16.47 4.39 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -146.8 131.57 17.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.334 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.548 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.3 OUTLIER -93.31 -154.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.484 0.659 . . . . 0.0 111.383 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.548 ' H ' HG12 ' A' ' 69' ' ' VAL . 56.7 t0 -146.56 132.8 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.378 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -47.98 -46.38 32.49 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.392 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -52.35 -37.26 55.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.047 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.66 -30.45 59.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.565 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.699 ' O ' HG13 ' A' ' 78' ' ' VAL . 57.4 t80 -63.64 -40.64 97.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.1 m -75.51 -30.57 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -39.43 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.19 -34.37 49.54 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.91 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.2 m -62.78 -40.99 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.239 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.467 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -72.65 -39.91 66.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.25 -28.9 2.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.683 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.3 mt -75.17 -37.47 61.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.646 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.507 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 98.9 m -67.62 -55.37 13.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.772 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.0 p -57.77 -18.13 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.625 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.97 29.96 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.625 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 t -149.38 -50.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.4 ' N ' HD22 ' A' ' 86' ' ' ASN . 2.7 m120 -51.77 -34.5 39.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.69 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -47.95 -22.19 0.55 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.7 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.5 t80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.6 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.762 0.315 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -70.7 -31.92 68.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.532 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.593 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -61.91 -48.5 80.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.33 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.31 -31.13 67.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.303 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.3 m -68.97 -35.3 76.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.629 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.13 75.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.65 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 66.6 mmm -68.82 -33.44 73.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.485 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -58.05 -35.77 71.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.745 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.2 m -59.79 -38.02 80.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.998 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.619 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.6 mm? -64.85 -31.3 72.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.635 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.405 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 10.8 mm -70.95 -42.26 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.799 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -60.01 -55.44 34.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.494 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.1 p -62.9 -41.84 94.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.624 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.494 ' N ' HG13 ' B' ' 14' ' ' VAL . 94.0 t80 -59.38 -42.19 91.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.616 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -77.02 -24.73 52.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.18 96.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.623 ' NE2' HD13 ' B' ' 36' ' ' LEU . 57.1 m-70 -86.54 -12.97 47.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.451 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.0 m -65.66 -27.64 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.501 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.93 -10.65 77.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -62.0 -73.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.764 0.316 . . . . 0.0 110.627 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -121.09 -35.99 3.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.488 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.73 171.59 4.41 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -90.91 67.64 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.589 0.233 . . . . 0.0 110.566 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 mttm 68.25 -44.49 0.5 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.963 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -100.2 -50.16 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.531 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -61.9 170.61 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.546 HD23 HD12 ' B' ' 33' ' ' LEU . 27.4 tp -155.3 126.1 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.275 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 85.3 p -68.65 150.49 47.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.401 ' HZ3' ' HB3' ' B' ' 64' ' ' ASN . 44.4 tptt -66.08 -36.1 82.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.263 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.483 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.12 -39.25 74.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.84 -179.767 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -81.55 -40.13 23.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.644 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.546 HD12 HD23 ' B' ' 28' ' ' LEU . 6.9 tt -64.47 -43.44 94.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.908 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.439 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 0.2 OUTLIER -52.14 -40.44 61.38 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.908 -179.325 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 94.4 mt-10 -79.9 -27.38 39.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.193 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.623 HD13 ' NE2' ' B' ' 18' ' ' HIS . 35.1 tp -63.95 -50.77 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.875 -178.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.532 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.1 pp -50.69 -44.78 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.247 -179.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.532 ' N ' HD12 ' B' ' 37' ' ' LEU . 18.6 pt20 -76.81 -25.73 53.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.794 0.33 . . . . 0.0 111.084 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.7 m -66.68 -43.64 83.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.586 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -87.97 -26.87 22.44 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.504 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.62 44.93 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.473 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 1.1 m -68.5 -28.27 66.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.28 -46.47 26.69 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.51 ' CZ ' HG23 ' B' ' 82' ' ' THR . 10.3 m-85 -53.22 -62.67 1.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.666 0.269 . . . . 0.0 110.873 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -56.78 -9.01 0.68 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.747 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.403 ' OD2' ' O ' ' B' ' 42' ' ' SER . 58.3 m-20 -103.32 -11.3 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.543 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.09 -2.63 14.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.864 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.515 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.7 pp0? -97.81 135.63 39.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.648 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -98.59 -15.26 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.486 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.515 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 86.1 m-20 -61.8 105.16 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . 0.442 ' O ' ' CG ' ' B' ' 55' ' ' ASP . 79.4 t -78.81 -31.86 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.668 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -72.59 -33.32 66.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.66 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.6 -47.8 77.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.7 p -72.24 -32.09 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.696 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' B' ' 51' ' ' VAL . 87.2 m-20 -57.46 -49.52 75.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.559 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -64.2 -33.95 76.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.587 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.5 t -76.94 -30.6 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.708 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.1 ttp -69.69 -51.42 34.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.478 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -64.16 -32.29 73.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.491 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.543 ' OE2' ' ND2' ' B' ' 64' ' ' ASN . 13.7 tm-20 -53.51 -34.85 59.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 25.3 mt -71.17 -28.9 64.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.91 -50.02 39.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.094 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -65.2 -36.82 85.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.837 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.543 ' ND2' ' OE2' ' B' ' 60' ' ' GLU . 36.5 m-80 -86.81 37.87 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.563 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.81 17.6 49.2 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.85 -41.93 34.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.743 0.306 . . . . 0.0 110.51 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.12 -16.33 4.44 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -146.69 131.88 18.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.763 0.316 . . . . 0.0 110.312 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.547 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.4 OUTLIER -95.19 -153.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.174 0.511 . . . . 0.0 111.056 -179.676 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.547 ' H ' HG12 ' B' ' 69' ' ' VAL . 56.4 t0 -146.4 132.97 19.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.43 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.405 ' CZ ' ' CD1' ' B' ' 12' ' ' ILE . 34.8 t80 -47.92 -46.5 32.05 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.5 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -52.3 -37.21 55.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.092 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.76 -30.54 59.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.471 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.697 ' O ' HG13 ' B' ' 78' ' ' VAL . 57.9 t80 -63.63 -40.58 97.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.412 HG22 ' H ' ' B' ' 75' ' ' VAL . 31.0 m -75.54 -30.52 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -39.44 32.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.24 -34.3 49.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.908 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.697 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.1 m -62.66 -41.03 90.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.274 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.472 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -72.76 -39.91 66.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.808 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.23 -28.87 2.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.661 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.1 mt -75.19 -37.45 61.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.705 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.51 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 99.2 m -67.68 -55.35 13.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.706 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 9.1 p -57.91 -18.04 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.608 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.95 30.01 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 34.8 t -149.48 -50.43 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -51.89 -34.5 41.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.627 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -47.84 -22.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.723 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.2 t80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.748 -179.869 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.803 0.335 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' A' ' 6' ' ' THR . 93.1 mt-10 -57.46 -33.81 68.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.645 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.784 ' C ' HD13 ' A' ' 4' ' ' LEU . 3.0 tm? -67.95 -48.68 65.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.088 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.76 -37.74 76.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.7 p -64.3 -35.13 79.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.534 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.49 -41.49 73.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.44 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.3 mmm -69.37 -36.87 77.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.396 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -57.21 -33.65 67.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.1 m -60.63 -42.47 96.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.616 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.598 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -59.21 -31.5 69.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.534 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.9 mm -70.87 -44.28 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -59.97 -55.58 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 15' ' ' PHE . 12.0 p -60.22 -36.74 70.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.615 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.42 ' N ' HG13 ' A' ' 14' ' ' VAL . 43.0 t80 -60.85 -42.85 98.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -84.64 -18.64 34.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.714 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.93 73.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.444 ' CD2' HD13 ' A' ' 36' ' ' LEU . 66.6 m-70 -93.38 -11.57 31.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.918 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 54.1 m -73.93 -1.59 20.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.494 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.66 -0.35 87.89 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -72.55 -79.59 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -106.06 -45.38 4.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.94 171.85 9.22 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -91.06 -61.08 1.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.904 0.383 . . . . 0.0 110.619 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -141.18 -91.95 0.15 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.604 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.68 2.43 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.3 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -96.39 134.54 39.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.742 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.9 tp -140.58 120.64 13.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.341 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.22 146.87 40.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -68.84 -29.75 68.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.322 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -56.41 -44.55 80.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.98 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -80.49 -28.48 37.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.681 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.4 tm? -55.28 -53.15 59.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.827 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -51.34 -36.39 42.63 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.651 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -79.39 -27.16 41.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.783 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 18' ' ' HIS . 21.2 tp -66.83 -56.37 10.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.932 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.53 -48.94 62.83 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.314 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.7 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.3 pt20 -66.33 -25.67 66.94 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.868 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.1 m -74.12 -37.68 64.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.144 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.59 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 1.5 mp0 -93.38 -26.49 17.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.857 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.45 46.04 2.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 110.466 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -68.31 -33.42 74.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.604 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.71 -39.92 7.95 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.57 -61.75 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 110.372 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.39 -10.62 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.672 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -96.61 -16.6 20.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.587 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.63 -2.83 43.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.639 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.513 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.7 pp0? -105.29 136.07 45.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.54 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -99.92 -0.48 39.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.513 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 62.4 m-20 -75.01 96.36 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.98 -27.35 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.627 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -73.33 -35.11 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.704 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.23 -51.54 63.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -66.97 -35.4 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.558 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -57.58 -44.16 85.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -62.52 -39.24 92.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.684 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -74.83 -30.68 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.679 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 31.6 ttp -72.75 -50.02 27.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.474 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.64 -31.68 72.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -53.01 -32.98 49.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.26 -40.46 90.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.57 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -66.35 -34.94 79.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.502 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -68.58 -38.37 80.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.122 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -101.19 94.04 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.242 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -121.23 -3.93 10.32 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' GLY . 42.2 t0 -37.89 -26.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.901 0.381 . . . . 0.0 110.487 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 101.29 -6.05 55.75 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -142.97 132.18 23.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.064 0.459 . . . . 0.0 110.528 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.606 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.62 -154.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.341 -179.483 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.606 ' H ' HG12 ' A' ' 69' ' ' VAL . 23.7 m-20 -152.74 143.91 23.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.912 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -49.05 -53.16 21.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.752 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -55.88 -33.5 64.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.709 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' O ' HD23 ' A' ' 77' ' ' LEU . 71.5 mm-40 -75.19 -30.94 60.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.961 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.488 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.6 t80 -70.74 -42.04 71.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.845 0.355 . . . . 0.0 111.062 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.8 m -74.87 -27.84 20.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.55 -39.86 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.5 pp -77.26 -34.76 55.69 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.076 -0.649 . . . . 0.0 111.79 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 79' ' ' ALA . 30.6 m -63.21 -44.47 99.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.479 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.494 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -70.52 -34.65 72.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.699 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.52 -26.13 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.504 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.7 mt -75.54 -38.1 59.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.685 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.9 m -62.05 -55.46 28.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.781 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -47.1 -38.69 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.653 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -24.66 68.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.661 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.9 t -81.57 -60.3 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.637 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' A' ' 88' ' ' PHE . 5.5 m120 -48.46 -28.75 3.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.662 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -46.77 -12.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.768 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 86' ' ' ASN . 37.9 t80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.418 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.887 0.375 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.463 ' O ' ' OG1' ' B' ' 6' ' ' THR . 92.9 mt-10 -57.33 -33.89 68.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.675 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.784 HD13 ' C ' ' B' ' 4' ' ' LEU . 3.0 tm? -67.98 -48.67 65.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.036 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.84 -37.69 77.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 23.7 p -64.4 -34.87 79.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.69 -41.31 73.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.49 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mmm -69.47 -36.83 76.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.404 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -56.93 -33.87 67.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.586 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 24.1 m -60.71 -42.36 97.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.696 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.592 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.9 mm? -59.33 -31.35 69.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 11.1 mm -71.03 -44.18 75.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -60.04 -55.64 31.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.407 HG13 ' N ' ' B' ' 15' ' ' PHE . 11.9 p -60.18 -36.73 69.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.407 ' N ' HG13 ' B' ' 14' ' ' VAL . 43.7 t80 -60.82 -42.93 98.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.666 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -84.55 -18.64 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.736 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.57 -35.99 73.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.799 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.437 ' CD2' HD13 ' B' ' 36' ' ' LEU . 66.7 m-70 -93.29 -11.75 31.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.958 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.3 m -73.86 -1.61 20.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.62 -0.4 87.94 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -72.43 -79.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.656 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -106.13 -45.29 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.13 171.97 9.51 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -91.21 -60.99 1.76 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.82 0.343 . . . . 0.0 110.503 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' B' ' 27' ' ' LYS . 74.8 mttt -141.19 -91.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.88 2.53 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.232 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' B' ' 25' ' ' LYS . 37.5 mtmt -96.48 134.5 39.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.706 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 tp -140.47 120.84 14.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.392 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.54 146.86 40.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.013 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -68.65 -29.79 68.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.32 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -56.47 -44.81 80.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.745 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -80.3 -28.49 38.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.653 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.67 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.4 tm? -55.1 -53.39 56.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -51.11 -36.51 40.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.638 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -79.35 -27.18 41.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.725 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.437 HD13 ' CD2' ' B' ' 18' ' ' HIS . 20.9 tp -66.91 -56.45 10.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.805 -178.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.699 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.41 -48.98 62.47 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.335 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.699 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.3 pt20 -66.41 -25.66 66.86 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.865 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 67.1 m -74.09 -37.7 64.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.134 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.578 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.5 mp0 -93.42 -26.48 17.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.859 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.49 46.06 2.07 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 110.336 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -68.39 -33.27 73.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.631 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.74 -40.01 7.89 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.61 -61.7 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.661 0.267 . . . . 0.0 110.443 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -61.32 -10.55 7.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.725 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -96.6 -16.68 20.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.601 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.66 -2.83 43.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.602 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.7 pp0? -105.13 136.05 45.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.69 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -99.95 -0.48 39.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.52 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 62.9 m-20 -75.06 96.34 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.479 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.95 -27.47 37.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.51 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -73.21 -35.23 66.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.677 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.13 -51.48 63.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -67.05 -35.36 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.619 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -57.65 -44.12 85.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.547 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -62.41 -39.46 93.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.624 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.81 -30.58 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.677 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 31.5 ttp -72.92 -49.95 26.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.46 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.59 -31.66 72.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -52.94 -33.1 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.27 -40.43 90.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.482 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.48 -34.77 78.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.449 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -68.63 -38.46 80.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.042 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -101.12 93.95 5.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.342 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -121.12 -3.9 10.43 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' B' ' 65' ' ' GLY . 42.2 t0 -37.93 -26.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.793 0.33 . . . . 0.0 110.433 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 101.31 -6.65 56.02 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -141.75 132.3 25.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 0.0 110.737 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.593 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -93.7 -155.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.135 -179.456 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.593 ' H ' HG12 ' B' ' 69' ' ' VAL . 23.4 m-20 -152.28 144.07 23.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.826 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -49.05 -53.3 20.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.768 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -55.81 -33.46 64.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.735 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.414 ' O ' HD23 ' B' ' 77' ' ' LEU . 71.5 mm-40 -75.34 -30.7 60.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.49 ' O ' HG13 ' B' ' 78' ' ' VAL . 18.6 t80 -70.84 -42.05 70.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.731 0.301 . . . . 0.0 110.997 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.3 m -74.84 -27.98 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.974 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -39.93 34.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.418 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -77.15 -34.71 56.46 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.823 -178.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.49 HG13 ' O ' ' B' ' 74' ' ' TYR . 31.0 m -63.24 -44.47 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.507 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.49 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -70.57 -34.53 72.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.762 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.53 -26.17 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.515 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.41 -38.25 59.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.745 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 53.0 m -62.1 -55.29 30.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -47.14 -38.73 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.688 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.8 -24.81 67.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.682 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 7.8 t -81.57 -60.18 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.687 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' B' ' 88' ' ' PHE . 5.5 m120 -48.6 -28.84 3.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.422 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -46.77 -12.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.685 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' B' ' 86' ' ' ASN . 37.6 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.554 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.697 0.284 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.53 -33.1 73.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.449 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.589 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -63.52 -48.68 76.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.417 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -69.2 -31.53 70.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.37 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.1 m -69.49 -36.14 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.7 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.57 74.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.655 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.8 mmm -67.09 -39.74 86.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.463 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -54.16 -34.51 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.625 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.467 HG22 HD22 ' B' ' 4' ' ' LEU . 18.5 m -59.98 -38.97 84.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.62 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.6 mm? -63.97 -31.31 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.639 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 mm -71.11 -40.31 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -59.9 -55.19 37.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.787 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.3 p -60.64 -43.47 94.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.505 ' N ' HG13 ' A' ' 14' ' ' VAL . 66.0 t80 -55.45 -38.75 69.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.527 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -84.62 -17.8 37.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.685 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.09 -37.19 64.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.651 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.679 ' CD2' HD13 ' A' ' 36' ' ' LEU . 40.6 m-70 -90.09 -9.56 47.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.731 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.2 m -77.43 6.5 6.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.518 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.91 -6.26 62.09 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -73.34 -74.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.947 0.403 . . . . 0.0 110.524 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -136.53 64.44 1.55 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.407 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ASP . . . -168.76 135.04 3.43 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 23' ' ' GLY . 91.7 m-20 -36.86 -77.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.549 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 26' ' ' TYR . 17.2 pttp -160.58 -41.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.412 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' OH ' HG23 ' B' ' 83' ' ' VAL . 0.1 OUTLIER -100.84 17.96 20.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.04 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -129.64 138.23 51.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.452 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 33' ' ' LEU . 31.6 tp -134.19 130.54 37.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.243 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.461 ' HG ' ' HG2' ' A' ' 32' ' ' GLU . 32.5 p -69.15 150.79 47.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.33 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HZ3' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -64.95 -43.88 91.26 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.264 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -33.77 66.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.56 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' HG2' ' HG ' ' A' ' 29' ' ' SER . 72.6 mm-40 -80.35 -49.98 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.454 HD12 HD23 ' A' ' 28' ' ' LEU . 7.4 tt -57.59 -34.83 69.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.76 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -52.46 -45.18 65.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.44 ' O ' ' OG1' ' A' ' 39' ' ' THR . 74.5 mm-40 -79.37 -27.25 41.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.444 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.679 HD13 ' CD2' ' A' ' 18' ' ' HIS . 42.1 tp -59.25 -54.76 43.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.914 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.0 pp -50.49 -47.77 57.06 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.093 -0.243 . . . . 0.0 111.387 -178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.654 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.0 pt20 -74.66 -25.85 59.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.783 0.325 . . . . 0.0 111.058 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 58.5 m -68.06 -38.77 82.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.284 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.439 ' OE1' ' CB ' ' B' ' 4' ' ' LEU . 64.7 mm-40 -92.85 -26.53 17.62 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.321 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.56 46.14 1.79 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.717 0.294 . . . . 0.0 110.489 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 t -68.38 -28.77 67.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.16 -53.29 9.3 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.402 ' C ' ' H ' ' A' ' 46' ' ' ASP . 23.3 m-85 -45.82 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.712 0.291 . . . . 0.0 110.977 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.06 -9.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.851 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 44' ' ' PHE . 16.1 t70 -104.97 -14.8 15.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.649 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.74 -2.88 19.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.68 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.586 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.2 pp0? -103.77 138.98 39.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.557 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -98.53 -16.05 19.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.586 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 40.4 m-20 -61.16 99.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.498 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.1 t -76.75 -34.88 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.683 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -69.54 -34.68 74.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.762 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.58 -51.6 64.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.749 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.3 p -70.71 -31.97 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.63 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -55.14 -48.11 74.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.552 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.41 -34.82 79.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.521 HG11 HD21 ' A' ' 81' ' ' LEU . 92.2 t -75.62 -30.6 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.587 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 29.7 ttp -71.82 -51.49 22.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.474 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.4 pttt -63.12 -31.51 72.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -55.91 -35.06 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.524 HD23 ' HZ3' ' A' ' 30' ' ' LYS . 22.6 mt -64.76 -35.97 82.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -74.82 -27.57 60.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.652 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -72.01 -34.39 68.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.428 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -94.02 51.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.53 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.455 ' C ' ' N ' ' A' ' 67' ' ' GLY . . . -81.79 8.73 58.84 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -47.65 -16.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.811 0.339 . . . . 0.0 110.583 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.455 ' N ' ' C ' ' A' ' 65' ' ' GLY . . . 99.67 -12.04 61.16 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -150.46 132.04 14.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.041 0.448 . . . . 0.0 110.412 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.466 HG22 ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -93.13 -154.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.414 0.626 . . . . 0.0 111.302 -179.735 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.463 ' H ' HG12 ' A' ' 69' ' ' VAL . 48.9 m-20 -145.25 133.19 21.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.549 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -48.13 -47.55 34.59 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.565 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -51.47 -37.71 50.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.379 . . . . 0.0 110.082 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -75.69 -30.51 59.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.576 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.708 ' O ' HG13 ' A' ' 78' ' ' VAL . 49.4 t80 -63.33 -40.21 96.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.51 -30.15 21.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.8 -39.57 31.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.35 -34.45 48.42 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.933 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.1 m -62.26 -41.83 92.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.408 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.468 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -72.01 -38.29 69.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.704 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.27 -24.21 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.517 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.521 HD21 HG11 ' A' ' 57' ' ' VAL . 54.9 mt -75.88 -36.36 59.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.647 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 85' ' ' CYS . 50.2 m -72.33 -55.73 6.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.454 HG23 ' OH ' ' B' ' 26' ' ' TYR . 5.1 p -48.33 -25.82 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 110.505 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.21 -30.89 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.505 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 82' ' ' THR . 25.6 t -73.43 -50.05 23.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.643 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 88' ' ' PHE . 1.3 m120 -53.45 -35.92 61.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.489 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -46.01 -14.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 86' ' ' ASN . 53.8 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.509 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.842 0.353 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.48 -33.14 73.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.585 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -63.4 -48.77 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -69.05 -31.71 70.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.361 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 27.0 m -69.46 -36.12 76.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.672 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.47 -42.49 74.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.71 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.8 mmm -67.04 -39.96 87.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.384 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -54.1 -34.45 60.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.623 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.472 HG22 HD22 ' A' ' 4' ' ' LEU . 19.0 m -60.0 -39.13 84.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.747 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.624 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.6 mm? -63.79 -31.46 72.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.535 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.4 mm -71.04 -40.3 75.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -59.98 -55.42 34.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.59 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.508 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.3 p -60.43 -43.45 94.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.508 ' N ' HG13 ' B' ' 14' ' ' VAL . 65.8 t80 -55.42 -38.78 69.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.641 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -84.61 -17.95 37.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.548 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.93 -37.18 64.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.683 ' CD2' HD13 ' B' ' 36' ' ' LEU . 40.2 m-70 -90.2 -9.51 47.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.635 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.1 m -77.47 6.57 6.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.547 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.01 -6.14 62.02 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -73.43 -74.6 0.17 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.794 0.33 . . . . 0.0 110.613 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -136.68 64.38 1.55 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.41 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' B' ' 24' ' ' ASP . . . -168.66 135.03 3.43 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' B' ' 23' ' ' GLY . 92.0 m-20 -36.93 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.601 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' B' ' 26' ' ' TYR . 17.3 pttp -160.59 -41.17 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.361 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.454 ' OH ' HG23 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -100.73 17.78 21.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.049 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -129.52 138.27 51.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.467 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.462 HD23 HD12 ' B' ' 33' ' ' LEU . 31.9 tp -134.17 130.53 37.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.213 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.472 ' HG ' ' HG2' ' B' ' 32' ' ' GLU . 32.7 p -69.24 150.81 47.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.363 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.586 ' HZ3' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -64.92 -43.8 91.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.286 179.717 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -33.78 66.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.524 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.472 ' HG2' ' HG ' ' B' ' 29' ' ' SER . 72.5 mm-40 -80.32 -50.01 10.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.462 HD12 HD23 ' B' ' 28' ' ' LEU . 7.3 tt -57.5 -34.9 69.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.792 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -52.45 -45.09 65.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -79.37 -27.38 41.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.371 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.683 HD13 ' CD2' ' B' ' 18' ' ' HIS . 41.9 tp -59.02 -54.86 42.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -178.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.644 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.0 pp -50.53 -47.71 57.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.418 -178.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.644 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.0 pt20 -74.79 -25.61 59.17 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.007 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 57.7 m -68.16 -38.9 82.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.201 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.443 ' OE1' ' CB ' ' A' ' 4' ' ' LEU . 65.1 mm-40 -92.73 -26.58 17.69 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.365 -179.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.68 46.22 1.78 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.703 0.287 . . . . 0.0 110.393 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.5 t -68.4 -29.01 67.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.772 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.93 -53.39 9.52 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.411 ' C ' ' H ' ' B' ' 46' ' ' ASP . 22.9 m-85 -45.94 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.584 0.23 . . . . 0.0 110.909 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.11 -9.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.746 0.308 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' B' ' 44' ' ' PHE . 16.1 t70 -104.9 -14.73 15.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.676 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.78 -3.09 19.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.637 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.583 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.2 pp0? -103.61 139.05 39.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.574 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -98.73 -15.98 19.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.583 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 39.3 m-20 -60.99 99.16 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.723 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 71.3 t -76.67 -34.92 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.699 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -69.44 -34.72 74.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.767 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.7 -51.5 64.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.1 p -70.74 -31.99 47.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.704 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -54.96 -48.27 73.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.525 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -64.33 -34.79 78.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.653 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.516 HG11 HD21 ' B' ' 81' ' ' LEU . 92.2 t -75.6 -30.52 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.647 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 29.6 ttp -71.94 -51.49 21.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.46 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -62.96 -31.61 72.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -55.82 -35.23 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.594 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.586 HD23 ' HZ3' ' B' ' 30' ' ' LYS . 22.2 mt -64.59 -35.98 82.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -74.88 -27.52 60.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.645 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -71.98 -34.59 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.426 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -93.9 51.63 1.56 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.523 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.451 ' C ' ' N ' ' B' ' 67' ' ' GLY . . . -81.84 8.63 59.28 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -47.6 -16.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.472 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' B' ' 65' ' ' GLY . . . 99.62 -11.78 61.23 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -150.45 132.36 15.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.472 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.452 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.2 OUTLIER -94.81 -154.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.952 -179.263 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.452 ' H ' HG12 ' B' ' 69' ' ' VAL . 48.9 m-20 -144.94 133.28 21.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.622 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -48.2 -47.59 35.37 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.484 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -51.4 -37.74 49.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 0.0 110.087 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -75.75 -30.52 59.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.531 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.696 ' O ' HG13 ' B' ' 78' ' ' VAL . 49.6 t80 -63.12 -40.36 97.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.939 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.4 m -75.45 -30.2 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.74 -39.62 31.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.25 -34.46 49.07 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.006 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.696 HG13 ' O ' ' B' ' 74' ' ' TYR . 26.9 m -62.2 -41.92 93.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.43 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.472 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -71.91 -38.26 69.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.747 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.27 -24.44 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.511 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.516 HD21 HG11 ' B' ' 57' ' ' VAL . 54.2 mt -75.61 -36.47 60.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.8 m -72.22 -55.83 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.458 HG23 ' OH ' ' A' ' 26' ' ' TYR . 5.1 p -48.35 -25.76 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.55 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.86 65.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.465 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.5 t -73.44 -50.13 23.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.576 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' B' ' 88' ' ' PHE . 1.3 m120 -53.44 -35.83 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -46.07 -14.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.512 ' N ' ' O ' ' B' ' 86' ' ' ASN . 53.8 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.499 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.748 0.308 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.18 -34.91 74.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.787 ' C ' HD13 ' A' ' 4' ' ' LEU . 2.8 tm? -58.47 -47.99 82.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.147 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.7 -32.55 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.1 m -66.64 -36.32 82.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.67 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.43 -43.46 75.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.5 mmm -67.96 -38.03 82.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.596 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -54.3 -36.32 63.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -59.64 -43.59 93.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -56.55 -31.1 63.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.384 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.2 mm -70.63 -44.69 76.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.694 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -60.83 -55.69 30.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.518 HG13 ' N ' ' A' ' 15' ' ' PHE . 10.5 p -58.52 -43.03 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.518 ' N ' HG13 ' A' ' 14' ' ' VAL . 85.5 t80 -60.48 -38.65 84.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -71.03 -56.0 7.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.756 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.13 -46.58 11.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.032 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.529 ' CD2' HD13 ' A' ' 36' ' ' LEU . 63.4 m-70 -72.58 -34.81 67.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.732 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 68.1 m -65.04 -16.91 63.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.538 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.26 2.35 7.34 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -76.82 -106.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.749 0.309 . . . . 0.0 110.515 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -79.85 -35.13 38.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.613 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.14 151.38 51.57 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.432 ' H ' ' HE2' ' A' ' 27' ' ' LYS . 60.2 t0 -61.86 -52.31 64.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.698 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.4 pttt -170.27 -45.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.19 26.95 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.199 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HE2' ' H ' ' A' ' 24' ' ' ASP . 36.6 mtmt -131.8 139.84 49.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.252 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 tp -129.91 114.74 16.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.455 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.431 ' OG ' ' CG ' ' A' ' 32' ' ' GLU . 61.6 p -57.3 158.1 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.361 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.423 ' NZ ' ' CG1' ' A' ' 69' ' ' VAL . 0.3 OUTLIER -68.81 -48.07 64.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.687 179.708 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.09 -46.98 82.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.888 -179.561 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' CG ' ' OG ' ' A' ' 29' ' ' SER . 30.0 mm-40 -63.94 -40.27 96.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.866 0.365 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.787 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.7 tm? -60.33 -44.73 95.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.287 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -52.59 -45.06 66.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.733 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -78.64 -27.11 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.311 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.529 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.9 tp -58.52 -56.29 24.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.916 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -50.87 -50.4 57.13 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.463 -178.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.7 ' N ' HD12 ' A' ' 37' ' ' LEU . 3.4 pt20 -68.37 -25.54 65.13 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.802 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.8 m -73.7 -38.79 64.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.249 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -93.78 -27.18 16.62 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.507 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.69 46.32 1.95 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.843 0.354 . . . . 0.0 110.541 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -68.55 -27.3 65.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.805 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.79 -49.59 10.24 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.415 ' C ' ' H ' ' A' ' 46' ' ' ASP . 14.7 m-85 -50.65 -63.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.953 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.53 -8.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.983 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 44' ' ' PHE . 45.8 m-20 -105.44 -11.35 16.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.631 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.34 -2.66 14.74 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.954 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.587 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.5 pp0? -94.98 150.24 20.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.659 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.5 mttp -116.76 -1.5 12.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.537 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.587 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 56.5 m-20 -81.18 105.79 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.9 t -78.91 -24.91 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.593 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -74.6 -33.49 62.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.623 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.73 -51.61 53.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.725 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 p -65.64 -32.49 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.667 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -58.08 -45.8 86.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -66.26 -34.44 78.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.507 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.413 HG11 HD21 ' A' ' 81' ' ' LEU . 93.8 t -76.81 -30.67 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.711 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.0 ttm -70.91 -49.73 42.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.407 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -64.92 -31.74 73.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -53.65 -33.77 56.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.636 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.42 -39.11 92.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.599 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -72.12 -27.47 62.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.792 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -71.07 -36.89 72.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.456 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.536 ' C ' ' H ' ' A' ' 66' ' ' ASP . 2.5 m-80 -93.86 28.43 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.681 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -55.44 -2.62 0.29 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' A' ' 64' ' ' ASN . 47.4 t0 -41.34 -18.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.801 0.334 . . . . 0.0 110.579 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.569 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 97.6 -1.2 59.94 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -162.89 132.23 4.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.379 . . . . 0.0 110.604 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.423 ' CG1' ' NZ ' ' A' ' 30' ' ' LYS . 20.9 m -92.43 -171.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.991 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -126.72 154.5 44.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.114 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -52.35 -48.16 65.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.691 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -57.85 -33.43 68.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.661 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 77' ' ' LEU . 75.2 mm-40 -74.54 -30.95 61.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.65 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.2 t80 -70.08 -41.5 74.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.127 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.0 m -75.26 -27.96 20.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.67 -39.54 32.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.7 pp -78.44 -35.1 47.34 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.145 -0.622 . . . . 0.0 112.189 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 74' ' ' TYR . 31.0 m -58.51 -41.04 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.393 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.449 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -75.38 -36.77 60.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.694 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.28 -30.36 27.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.529 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.413 HD21 HG11 ' A' ' 57' ' ' VAL . 81.9 mt -74.88 -38.94 61.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.8 m -64.95 -54.41 31.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.696 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.3 p -53.65 -32.47 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.539 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.57 38.8 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.659 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.5 t -154.08 -54.59 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.549 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -57.34 -30.47 64.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -48.8 -30.44 5.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.7 t80 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.62 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.831 0.348 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.14 -34.87 74.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.795 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.8 tm? -58.45 -48.02 82.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.134 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.65 -32.62 72.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.1 m -66.71 -36.27 82.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.33 75.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.647 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.8 mmm -68.08 -37.87 81.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.574 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -54.36 -36.36 63.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.9 m -59.6 -43.68 93.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.705 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.553 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.8 mm? -56.44 -31.17 63.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.8 mm -70.47 -44.79 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.761 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -60.74 -55.63 30.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.025 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.521 HG13 ' N ' ' B' ' 15' ' ' PHE . 10.5 p -58.7 -42.94 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.753 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.521 ' N ' HG13 ' B' ' 14' ' ' VAL . 86.2 t80 -60.59 -38.57 85.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.588 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -71.04 -56.02 7.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.765 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.11 -46.5 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.017 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.535 ' CD2' HD13 ' B' ' 36' ' ' LEU . 62.8 m-70 -72.75 -34.7 67.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.747 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.3 m -65.09 -16.84 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.566 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.21 2.32 7.29 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -76.77 -106.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 110.487 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -79.91 -35.19 38.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.539 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.2 151.41 51.59 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.421 ' H ' ' HE2' ' B' ' 27' ' ' LYS . 60.3 t0 -61.86 -52.41 64.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.593 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -170.19 -45.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.661 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.19 27.0 8.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.133 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.421 ' HE2' ' H ' ' B' ' 24' ' ' ASP . 36.6 mtmt -131.74 139.8 49.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.317 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.4 tp -129.92 114.84 16.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.328 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.433 ' OG ' ' CG ' ' B' ' 32' ' ' GLU . 61.5 p -57.5 158.09 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.366 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.424 ' HZ2' HG12 ' B' ' 69' ' ' VAL . 0.2 OUTLIER -68.79 -48.05 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.599 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.492 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.1 -46.98 82.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.885 -179.515 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.433 ' CG ' ' OG ' ' B' ' 29' ' ' SER . 30.0 mm-40 -63.88 -40.38 96.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.928 0.394 . . . . 0.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.778 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.7 tm? -60.22 -44.91 94.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.314 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -52.51 -44.97 66.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.668 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -78.79 -27.08 44.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.237 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.535 HD13 ' CD2' ' B' ' 18' ' ' HIS . 21.1 tp -58.45 -56.26 24.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.935 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.692 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -50.78 -50.46 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.518 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.692 ' N ' HD12 ' B' ' 37' ' ' LEU . 3.4 pt20 -68.47 -25.48 65.0 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.746 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 74.3 m -73.67 -38.9 64.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.198 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -93.78 -27.14 16.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.51 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.72 46.13 2.0 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.517 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -68.32 -27.34 66.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.94 -49.49 9.85 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.419 ' C ' ' H ' ' B' ' 46' ' ' ASP . 14.4 m-85 -50.63 -63.57 1.08 Allowed 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.833 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -55.51 -8.32 0.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.021 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' B' ' 44' ' ' PHE . 45.9 m-20 -105.54 -11.32 16.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.636 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.38 -2.67 14.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.965 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.578 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.5 pp0? -94.95 150.37 20.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.732 0.301 . . . . 0.0 110.677 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -116.9 -1.32 12.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.578 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 56.7 m-20 -81.22 105.88 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.551 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.0 t -79.03 -24.94 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.61 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -74.48 -33.44 62.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.82 -51.65 53.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.698 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.2 p -65.63 -32.44 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.692 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -58.16 -45.76 86.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.616 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -66.29 -34.25 77.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.707 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.408 HG11 HD21 ' B' ' 81' ' ' LEU . 93.3 t -76.93 -30.64 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.698 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 27.1 ttm -70.92 -49.79 41.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.364 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -64.87 -31.7 73.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -53.76 -33.75 56.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 50.6 mt -62.5 -38.95 91.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -72.09 -27.58 62.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.789 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -71.03 -36.99 72.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.429 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' B' ' 66' ' ' ASP . 2.5 m-80 -93.72 28.34 2.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.693 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -55.47 -2.54 0.29 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' B' ' 64' ' ' ASN . 47.2 t0 -41.37 -18.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.629 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.569 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 97.47 -0.87 59.97 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -162.99 132.41 4.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.693 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.424 HG12 ' HZ2' ' B' ' 30' ' ' LYS . 19.3 m -93.72 -171.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.785 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -126.45 154.74 43.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.12 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -52.64 -47.94 66.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.729 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -57.91 -33.36 68.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.422 ' O ' HD23 ' B' ' 77' ' ' LEU . 75.2 mm-40 -74.55 -30.85 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.662 ' O ' HG13 ' B' ' 78' ' ' VAL . 18.0 t80 -70.25 -41.4 73.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.839 0.352 . . . . 0.0 111.122 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.7 m -75.25 -28.04 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.66 -39.7 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.439 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -78.19 -35.3 48.78 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.113 -0.635 . . . . 0.0 112.183 -178.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.662 HG13 ' O ' ' B' ' 74' ' ' TYR . 31.1 m -58.38 -41.12 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.484 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.449 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -75.27 -36.7 61.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.36 -30.31 28.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.493 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.408 HD21 HG11 ' B' ' 57' ' ' VAL . 82.6 mt -74.87 -38.85 61.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.548 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.0 m -65.07 -54.52 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.598 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 6.3 p -53.64 -32.34 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.536 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.61 38.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.648 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.5 t -154.01 -54.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -57.28 -30.41 64.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.715 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -48.76 -30.58 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.644 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.5 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.671 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -56.78 -35.86 69.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.556 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -66.33 -48.59 69.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.388 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.16 -31.53 69.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.38 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 55.8 m -69.49 -34.93 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.795 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.58 76.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.619 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.4 mmm -65.4 -40.63 93.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.496 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -54.08 -34.22 59.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.651 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.1 m -59.68 -40.08 86.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.648 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.636 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.5 mm? -66.26 -31.49 72.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.501 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.435 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 23.4 mm -68.18 -43.79 84.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -59.98 -55.75 30.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.015 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.3 p -62.29 -40.97 89.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.808 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.489 ' N ' HG13 ' A' ' 14' ' ' VAL . 83.4 t80 -58.37 -40.16 81.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.621 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -82.74 -18.34 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.35 -40.47 67.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.72 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.588 ' CD2' HD13 ' A' ' 36' ' ' LEU . 79.1 m-70 -87.45 -12.23 46.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.775 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.1 m -72.21 -13.81 61.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.545 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.45 -6.38 88.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -61.13 -48.39 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.528 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -167.73 38.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.454 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -131.95 158.55 22.93 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.35 -62.59 1.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.867 0.365 . . . . 0.0 110.396 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 26' ' ' TYR . 17.9 pttp -175.26 -41.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.25 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.512 ' OH ' HG23 ' B' ' 83' ' ' VAL . 0.1 OUTLIER -95.68 -15.77 22.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.0 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -90.8 148.32 22.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.694 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 tp -137.03 110.53 7.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.281 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -52.08 143.78 13.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.285 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.54 ' HZ3' ' HA ' ' A' ' 61' ' ' LEU . 12.6 tptt -68.87 -29.87 68.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.199 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.49 -45.84 80.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.389 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -80.54 -28.52 37.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.964 0.411 . . . . 0.0 110.614 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.679 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.2 tm? -55.28 -56.27 21.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.812 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 15.8 ptmt -52.27 -39.05 59.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.97 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.462 ' O ' ' OG1' ' A' ' 39' ' ' THR . 94.6 mt-10 -79.33 -27.66 42.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.829 0.347 . . . . 0.0 111.014 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.588 HD13 ' CD2' ' A' ' 18' ' ' HIS . 22.1 tp -64.76 -56.15 15.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.675 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.68 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -51.06 -48.89 61.46 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.182 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.68 ' N ' HD12 ' A' ' 37' ' ' LEU . 13.3 pt20 -70.08 -25.52 63.56 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.974 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 22.2 m -70.76 -40.99 72.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.397 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -93.67 -26.77 16.9 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.432 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.66 46.27 2.04 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.829 0.347 . . . . 0.0 110.529 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -68.65 -34.39 75.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.803 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.48 -50.66 36.21 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.515 ' C ' ' H ' ' A' ' 46' ' ' ASP . 10.2 m-85 -46.11 -67.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.596 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' C ' HD12 ' A' ' 45' ' ' LEU . 3.4 pp -52.0 -6.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.846 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 44' ' ' PHE . 11.5 t0 -105.6 -26.48 11.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.755 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.07 -3.11 48.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.559 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.9 pp0? -105.74 133.76 49.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 110.593 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -99.67 -3.22 33.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.625 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.559 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 36.2 m-20 -64.04 105.42 0.86 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.501 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.8 t -80.54 -38.09 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.805 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 35.3 p-10 -70.53 -36.68 73.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.791 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.568 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -65.05 -51.61 60.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.695 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 50' ' ' ASP . 9.1 p -67.29 -34.97 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.619 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -57.54 -40.84 79.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.652 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -64.79 -40.6 95.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.621 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.6 t -77.07 -30.5 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.729 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.0 ttt -68.6 -51.46 42.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.413 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -65.99 -31.48 72.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.61 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -56.57 -31.05 63.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.744 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.54 ' HA ' ' HZ3' ' A' ' 30' ' ' LYS . 91.1 mt -60.39 -32.94 71.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.561 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -75.12 -48.03 25.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.379 . . . . 0.0 110.418 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -52.25 -39.53 60.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.55 ' C ' ' H ' ' A' ' 66' ' ' ASP . 2.4 m120 -90.99 22.25 3.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.543 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.48 16.94 0.49 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.55 ' H ' ' C ' ' A' ' 64' ' ' ASN . 22.1 t70 -49.59 -43.23 46.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.497 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.98 -13.98 2.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -174.39 134.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.106 0.479 . . . . 0.0 110.999 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.484 HG21 ' HG ' ' A' ' 33' ' ' LEU . 2.6 m -91.85 -172.7 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.993 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -121.76 162.28 21.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.099 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.435 ' CZ ' ' CD1' ' A' ' 12' ' ' ILE . 31.9 t80 -53.83 -51.77 62.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -53.91 -35.02 61.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.4 ' O ' HG12 ' A' ' 76' ' ' VAL . 45.9 mt-10 -75.75 -30.82 59.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.329 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.665 ' O ' HG13 ' A' ' 78' ' ' VAL . 28.2 t80 -68.34 -37.09 80.19 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.309 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.8 m -75.14 -27.75 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -76.51 -39.51 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.421 -0.511 . . . . 0.0 112.378 -178.604 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.7 pp -78.33 -35.72 47.26 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.107 -0.637 . . . . 0.0 112.071 -178.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 74' ' ' TYR . 26.8 m -59.24 -42.83 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.556 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.487 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -75.04 -35.1 61.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.711 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.609 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -50.62 -25.99 4.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.592 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 72.9 mt -75.65 -33.49 60.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.804 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.551 ' O ' ' N ' ' A' ' 85' ' ' CYS . 51.6 m -67.0 -51.54 53.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.11 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 80' ' ' ALA . 3.7 p -36.82 -30.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.799 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 82' ' ' THR . . . -67.3 -40.72 86.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.697 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.551 ' N ' ' O ' ' A' ' 82' ' ' THR . 3.8 t -64.42 -50.75 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.526 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -61.78 -29.02 69.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.61 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -49.46 -17.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.408 ' N ' ' C ' ' A' ' 86' ' ' ASN . 44.7 t80 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.603 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.703 0.287 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -56.61 -35.91 68.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.675 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.605 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -66.42 -48.54 69.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.374 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.24 -31.43 68.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.432 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 54.4 m -69.43 -35.0 75.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.769 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.53 76.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.4 mmm -65.41 -40.7 93.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.48 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -53.97 -34.37 59.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.639 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 20.0 m -59.65 -39.96 86.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.755 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.646 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.5 mm? -66.17 -31.53 72.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.435 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 22.9 mm -68.14 -43.85 84.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.883 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -60.04 -55.56 32.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.037 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.485 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.3 p -62.47 -40.85 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.718 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.485 ' N ' HG13 ' B' ' 14' ' ' VAL . 83.3 t80 -58.51 -40.06 81.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.658 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -82.8 -18.18 41.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.44 -40.38 67.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.727 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.588 ' CD2' HD13 ' B' ' 36' ' ' LEU . 79.1 m-70 -87.43 -12.37 46.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.812 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.4 m -72.05 -13.82 61.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.53 -6.34 88.69 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -61.02 -48.55 81.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 110.615 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -167.67 38.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.01 158.63 22.98 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.51 -62.4 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' B' ' 26' ' ' TYR . 17.8 pttp -175.3 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.373 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.505 ' OH ' HG23 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -95.68 -15.74 22.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.137 179.77 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -90.71 148.49 22.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.668 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 tp -137.22 110.46 7.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.159 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -51.98 143.72 13.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.277 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.548 ' HZ3' ' HA ' ' B' ' 61' ' ' LEU . 12.7 tptt -68.91 -29.85 68.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.221 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.489 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.41 -45.9 80.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.435 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -80.55 -28.49 37.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.571 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.679 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.2 tm? -55.32 -56.29 21.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.724 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.422 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 15.7 ptmt -52.29 -38.99 59.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.053 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.433 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.7 mt-10 -79.49 -27.45 41.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.02 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.588 HD13 ' CD2' ' B' ' 18' ' ' HIS . 22.1 tp -64.78 -56.06 15.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.736 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.677 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.2 pp -51.23 -48.69 62.03 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.237 -179.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.677 ' N ' HD12 ' B' ' 37' ' ' LEU . 13.3 pt20 -70.09 -25.68 63.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 111.0 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 22.1 m -70.59 -41.13 72.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.403 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -93.66 -26.7 16.94 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.337 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.76 46.38 2.03 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.815 0.34 . . . . 0.0 110.444 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -68.83 -34.36 75.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.54 -50.79 34.96 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.532 ' C ' ' H ' ' B' ' 46' ' ' ASP . 10.2 m-85 -45.98 -67.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 110.628 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.412 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.5 pp -52.11 -6.26 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.894 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.532 ' H ' ' C ' ' B' ' 44' ' ' PHE . 11.5 t0 -105.75 -26.44 11.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.658 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.24 -2.86 48.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.554 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.9 pp0? -105.57 133.76 49.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.683 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -99.73 -3.23 33.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.574 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.554 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 36.2 m-20 -64.04 105.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.459 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.4 t -80.52 -38.13 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.746 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 35.3 p-10 -70.56 -36.59 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.576 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -65.21 -51.49 60.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.745 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.407 HG12 ' O ' ' B' ' 50' ' ' ASP . 9.2 p -67.18 -35.07 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.67 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -57.43 -40.9 79.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -64.98 -40.39 94.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.628 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -77.1 -30.49 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.9 ttt -68.68 -51.4 42.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.393 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -65.94 -31.55 72.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -56.6 -31.08 63.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.741 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.548 ' HA ' ' HZ3' ' B' ' 30' ' ' LYS . 90.7 mt -60.23 -33.0 71.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.676 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -75.12 -48.07 25.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.406 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -52.31 -39.56 60.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.49 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.545 ' C ' ' H ' ' B' ' 66' ' ' ASP . 2.4 m120 -91.04 22.51 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.461 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.63 16.94 0.51 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' B' ' 64' ' ' ASN . 22.0 t70 -49.53 -43.21 45.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.52 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.97 -14.03 2.37 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -174.32 134.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.983 0.42 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.48 HG13 ' HD2' ' B' ' 30' ' ' LYS . 2.6 m -93.01 -172.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.787 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -121.48 162.3 20.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.197 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.435 ' CZ ' ' CD1' ' B' ' 12' ' ' ILE . 31.5 t80 -53.82 -51.76 62.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.837 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -53.91 -35.06 61.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -75.77 -31.02 59.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.264 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.676 ' O ' HG13 ' B' ' 78' ' ' VAL . 28.2 t80 -68.18 -37.15 80.66 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.278 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 30.7 m -75.05 -27.93 20.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.49 -39.44 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.409 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.7 pp -78.34 -35.74 47.13 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.224 -0.591 . . . . 0.0 112.094 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.676 HG13 ' O ' ' B' ' 74' ' ' TYR . 26.8 m -59.44 -42.48 87.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.65 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.487 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -75.22 -35.11 61.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.702 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.618 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -50.52 -26.02 4.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.658 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.1 mt -75.71 -33.27 60.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.572 ' O ' ' N ' ' B' ' 85' ' ' CYS . 52.5 m -67.14 -51.54 52.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.618 HG12 ' O ' ' B' ' 80' ' ' ALA . 3.6 p -36.59 -31.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.772 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 82' ' ' THR . . . -67.24 -40.64 86.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.716 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.572 ' N ' ' O ' ' B' ' 82' ' ' THR . 3.7 t -64.57 -50.65 66.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.545 ' ND2' ' N ' ' B' ' 86' ' ' ASN . 0.8 OUTLIER -61.97 -28.76 69.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.576 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -49.59 -17.85 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.643 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.403 ' N ' ' C ' ' B' ' 86' ' ' ASN . 44.6 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.835 0.35 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -57.22 -38.7 74.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 4' ' ' LEU . 1.8 tt -58.73 -48.83 79.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.302 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.49 -32.26 72.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.331 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -69.24 -35.09 75.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.596 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.63 -44.15 76.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.363 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.8 mmm -66.72 -36.36 82.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.474 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 17.7 tt0 -57.14 -34.5 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.723 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.2 m -60.3 -41.6 93.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.592 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -60.63 -31.21 70.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.557 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -68.9 -42.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 11.4 m-80 -59.97 -55.59 32.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.016 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 15' ' ' PHE . 14.6 p -63.17 -39.04 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.734 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.457 ' O ' ' OG ' ' A' ' 19' ' ' SER . 85.0 t80 -55.14 -42.7 73.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.656 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -80.17 -39.62 28.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.779 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.71 -41.43 43.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.025 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.401 ' CE1' HD13 ' A' ' 36' ' ' LEU . 29.6 m-70 -87.86 -11.12 48.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.826 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 49.7 m -71.6 -23.71 61.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.653 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.57 -2.64 64.46 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -69.05 -54.43 15.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.819 0.343 . . . . 0.0 110.585 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -129.28 -44.66 1.25 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.436 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.4 172.9 41.01 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -90.05 -55.03 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.714 0.292 . . . . 0.0 110.718 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 27' ' ' LYS . 44.1 mttm -140.23 -89.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.659 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -76.78 17.21 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 25' ' ' LYS . 20.5 mtpp -109.35 132.63 53.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.607 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 tp -140.76 115.45 9.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.401 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 p -61.46 154.65 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.409 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HD2' HG13 ' A' ' 69' ' ' VAL . 7.2 tptt -68.56 -35.45 77.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.296 179.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.02 -43.41 81.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.115 -179.323 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -79.03 -28.65 43.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.799 0.333 . . . . 0.0 110.998 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.732 HD13 ' C ' ' A' ' 33' ' ' LEU . 3.0 tm? -65.33 -55.52 17.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.722 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.19 -40.63 61.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.741 0.305 . . . . 0.0 110.902 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -79.31 -27.31 42.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.061 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.401 HD13 ' CE1' ' A' ' 18' ' ' HIS . 20.3 tp -61.47 -56.24 22.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.909 -179.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.691 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -50.8 -49.88 57.49 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.691 ' N ' HD12 ' A' ' 37' ' ' LEU . 12.0 pt20 -65.04 -25.68 67.93 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.332 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.45 ' C ' ' OE1' ' A' ' 40' ' ' GLU . 25.0 m -74.22 -45.36 48.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.449 -179.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.584 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -87.83 -27.52 22.2 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.524 -178.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mp -116.27 45.03 1.85 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.842 0.353 . . . . 0.0 110.286 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 p -68.22 -27.87 66.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.014 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.25 -48.58 10.74 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.422 ' C ' ' H ' ' A' ' 46' ' ' ASP . 10.0 m-85 -50.26 -65.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.823 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.24 -9.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.804 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 44' ' ' PHE . 15.2 t70 -102.24 -17.9 15.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.651 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.24 -3.12 29.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.797 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' C ' ' CD ' ' A' ' 48' ' ' GLN . 4.4 pp0? -103.61 136.46 43.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.666 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -98.0 -24.9 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.445 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -51.43 103.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.721 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.99 -35.08 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.594 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -70.24 -36.96 74.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.657 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.45 69.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.676 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.45 -31.91 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -59.51 -46.14 89.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.565 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.84 -37.77 88.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.561 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -75.0 -30.41 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.649 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 ttt -71.05 -50.39 34.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.387 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -65.63 -31.76 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -54.06 -30.65 48.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.502 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.3 mt -63.44 -39.86 95.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.402 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -69.83 -27.53 64.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.645 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.56 -40.34 76.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.579 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.554 ' C ' ' H ' ' A' ' 66' ' ' ASP . 8.8 m120 -92.1 32.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.764 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.588 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -58.15 1.12 0.27 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.554 ' H ' ' C ' ' A' ' 64' ' ' ASN . 24.2 t70 -39.14 -21.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.342 . . . . 0.0 110.595 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 97.9 3.54 58.06 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -169.11 131.95 1.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.064 0.459 . . . . 0.0 110.865 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.64 HG11 ' HG ' ' A' ' 33' ' ' LEU . 15.6 m -92.59 -172.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.874 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -129.96 153.77 48.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.708 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -48.5 -50.41 31.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.852 0.358 . . . . 0.0 110.67 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -57.58 -33.72 68.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -75.31 -30.54 60.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.668 ' O ' HG22 ' A' ' 78' ' ' VAL . 16.7 t80 -69.74 -41.49 75.19 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.952 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.9 m -75.04 -27.6 20.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.86 -38.43 36.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.8 pp -78.12 -44.11 27.04 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.755 -179.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 74' ' ' TYR . 17.0 m -58.62 -34.93 52.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.319 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.2 -34.26 61.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.625 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.35 -27.26 65.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.655 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.0 mt -75.44 -31.16 60.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.617 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.4 m -68.39 -55.35 12.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -52.92 -20.95 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.78 25.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 19.5 t -146.57 -54.22 0.25 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.617 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -52.59 -36.23 55.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.753 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -46.72 -24.31 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.669 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.6 t80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.666 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.4 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.817 0.342 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -57.21 -38.74 74.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.641 HD23 ' O ' ' B' ' 4' ' ' LEU . 1.8 tt -58.77 -48.68 80.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.382 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.54 -32.29 72.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.232 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 29.6 m -69.25 -35.2 75.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.44 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.91 76.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.457 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.2 mmm -66.81 -36.41 82.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 17.6 tt0 -57.11 -34.35 68.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.77 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.1 m -60.45 -41.71 94.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.609 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.8 mm? -60.51 -31.24 70.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.668 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -68.81 -42.87 82.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 11.3 m-80 -59.93 -55.58 32.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.005 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.468 HG13 ' N ' ' B' ' 15' ' ' PHE . 14.6 p -63.22 -39.17 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.468 ' N ' HG13 ' B' ' 14' ' ' VAL . 84.8 t80 -55.12 -42.57 73.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -80.44 -39.57 27.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.622 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.55 -41.36 41.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.157 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -87.89 -11.23 48.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.832 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 49.3 m -71.57 -23.87 61.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 0.0 110.489 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.39 -2.66 63.84 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -69.1 -54.38 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.636 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -129.34 -44.53 1.25 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.42 172.99 40.91 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -90.08 -55.09 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 110.735 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.413 ' C ' ' H ' ' B' ' 27' ' ' LYS . 44.1 mttm -140.31 -89.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.628 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -76.64 17.08 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' B' ' 25' ' ' LYS . 20.6 mtpp -109.3 132.62 53.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.589 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 tp -140.74 115.36 9.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.429 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.3 p -61.51 154.71 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.492 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.405 ' HD2' HG13 ' B' ' 69' ' ' VAL . 7.2 tptt -68.74 -35.23 76.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.342 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.484 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.22 -43.18 82.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.163 -179.375 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -79.19 -28.45 42.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.937 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.731 ' C ' HD13 ' B' ' 33' ' ' LEU . 3.0 tm? -65.34 -55.6 17.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.692 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.13 -40.78 61.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.838 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -79.13 -27.37 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.02 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.2 tp -61.59 -56.27 21.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.797 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.704 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.2 pp -50.86 -49.66 58.54 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.704 ' N ' HD12 ' B' ' 37' ' ' LEU . 12.0 pt20 -65.24 -25.51 67.71 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.348 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.449 ' C ' ' OE1' ' B' ' 40' ' ' GLU . 24.8 m -74.21 -45.32 49.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.482 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.576 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 0.0 OUTLIER -87.88 -27.6 22.1 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.555 -178.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mp -116.16 45.22 1.8 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.728 0.299 . . . . 0.0 110.3 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 26.6 p -68.37 -27.86 66.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.992 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.21 -48.54 10.86 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.42 ' C ' ' H ' ' B' ' 46' ' ' ASP . 10.1 m-85 -50.26 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.581 0.229 . . . . 0.0 110.803 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.27 -9.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.802 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' B' ' 44' ' ' PHE . 15.2 t70 -102.15 -17.87 15.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.4 -3.04 29.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.753 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -103.73 136.48 43.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.637 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -97.93 -24.87 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -51.43 103.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.61 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.04 -35.12 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.617 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -70.19 -37.01 75.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.63 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.77 -51.36 70.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.704 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.41 -31.97 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.656 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.5 -46.15 89.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.8 -37.84 88.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.84 -30.56 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.701 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.7 ttt -70.91 -50.49 34.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.433 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -65.6 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -53.94 -30.73 47.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.452 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.48 -39.85 95.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.354 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -69.77 -27.71 65.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.559 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.48 -40.39 77.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.576 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.52 ' C ' ' H ' ' B' ' 66' ' ' ASP . 8.8 m120 -92.19 32.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.702 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.588 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -58.16 1.16 0.27 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' B' ' 64' ' ' ASN . 24.2 t70 -39.29 -21.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.761 0.315 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 97.79 3.81 58.1 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -169.18 131.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.084 0.469 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.635 HG11 ' HG ' ' B' ' 33' ' ' LEU . 15.4 m -93.7 -172.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.633 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -129.54 153.95 47.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.796 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -48.62 -50.27 33.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.778 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -57.62 -33.75 68.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -75.25 -30.56 60.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.676 ' O ' HG22 ' B' ' 78' ' ' VAL . 16.8 t80 -69.72 -41.55 75.17 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.995 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.02 -27.6 20.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.87 -38.25 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 120.462 -0.495 . . . . 0.0 112.324 -178.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.639 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.7 pp -78.32 -43.89 26.69 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.021 -0.672 . . . . 0.0 111.807 -179.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.676 HG22 ' O ' ' B' ' 74' ' ' TYR . 16.8 m -58.83 -34.81 53.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.231 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.25 -34.29 61.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.565 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.37 -27.21 65.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.578 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -75.46 -31.26 60.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.522 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.8 m -68.29 -55.41 12.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.982 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -52.89 -20.94 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.784 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.82 25.83 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.479 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 19.5 t -146.59 -54.2 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.701 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -52.55 -36.28 55.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.704 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -46.79 -24.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.578 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 81.7 t80 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.674 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.435 ' O ' ' OG1' ' A' ' 6' ' ' THR . 70.4 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.735 0.302 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -64.12 -40.46 96.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -60.95 -48.63 80.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.063 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.46 -32.1 73.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.408 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 2' ' ' SER . 23.1 m -69.36 -35.01 75.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.647 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.54 -47.65 75.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 57.5 mmm -66.54 -34.61 78.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 13.2 tt0 -56.23 -36.27 68.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.632 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.0 m -58.56 -43.02 89.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -59.04 -31.36 68.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.48 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.5 mm -71.12 -43.56 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 35.2 m-80 -60.03 -55.65 31.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.4 p -60.94 -38.93 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.694 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.456 ' N ' HG13 ' A' ' 14' ' ' VAL . 85.1 t80 -57.8 -38.89 76.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.776 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -83.71 -17.96 39.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.12 61.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.794 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.634 ' CD2' HD13 ' A' ' 36' ' ' LEU . 63.4 m-70 -86.26 -10.49 54.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.1 m -76.38 4.26 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.55 -9.63 59.94 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -71.73 -65.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.713 0.292 . . . . 0.0 110.47 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -139.02 66.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.475 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -167.2 -178.79 39.75 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -97.78 -70.07 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.897 0.38 . . . . 0.0 110.612 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -144.87 -64.55 0.34 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -95.64 14.97 21.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -109.65 138.26 46.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -138.56 124.73 20.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.907 0.384 . . . . 0.0 110.255 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.6 p -67.6 147.28 52.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.426 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' A' ' 61' ' ' LEU . 1.2 tppp? -68.81 -38.15 79.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.076 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.708 ' H ' ' CE ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.93 -40.0 75.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.426 179.869 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -80.55 -28.4 37.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.981 0.419 . . . . 0.0 110.353 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.712 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.7 tm? -58.93 -55.77 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.757 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.25 -37.18 54.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.868 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -79.19 -27.36 42.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.634 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.9 tp -64.53 -56.32 14.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.707 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -51.67 -48.83 63.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.642 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.1 pt20 -68.46 -25.76 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.298 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.5 m -69.51 -40.61 76.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.281 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -93.71 -26.72 16.89 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.099 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.53 44.89 2.26 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.48 -27.36 66.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.69 -51.58 7.07 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.537 ' C ' ' H ' ' A' ' 46' ' ' ASP . 6.8 m-85 -45.99 -64.29 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.627 0.251 . . . . 0.0 110.903 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.599 ' C ' HD12 ' A' ' 45' ' ' LEU . 3.6 pp -52.93 -4.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.105 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 44' ' ' PHE . 10.9 t0 -101.28 -23.17 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.693 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.77 -3.11 33.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.21 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.3 pp0? -97.11 128.35 43.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.663 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -99.43 -2.31 36.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.562 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.498 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 90.1 m-20 -71.43 104.31 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.598 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.8 t -76.92 -31.25 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.569 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.87 -37.37 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.646 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.5 -51.56 68.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.701 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.63 -32.32 57.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -56.48 -43.96 80.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -65.54 -36.6 84.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.595 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.9 t -75.79 -30.69 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.1 ttm -72.69 -50.77 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.332 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -63.68 -31.57 72.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.461 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.431 ' HG2' HD22 ' A' ' 64' ' ' ASN . 85.4 tt0 -54.97 -35.95 64.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.598 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.576 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 40.8 mt -61.38 -35.61 77.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.48 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -74.17 -27.53 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.654 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -78.34 -40.96 34.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.367 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.53 ' C ' ' HZ2' ' A' ' 30' ' ' LYS . 68.9 m-80 -96.2 34.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.556 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.18 9.09 4.35 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' A' ' 64' ' ' ASN . 48.0 t0 -45.02 -23.8 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.482 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' HA2' ' NZ ' ' A' ' 31' ' ' LYS . . . 109.85 -15.3 31.49 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -149.62 131.77 15.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.905 0.383 . . . . 0.0 110.489 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 m -92.88 -171.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.88 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -124.8 151.6 44.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.167 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -52.02 -47.4 65.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.655 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.94 -33.75 69.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.676 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -75.55 -30.9 59.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.257 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.678 ' O ' HG13 ' A' ' 78' ' ' VAL . 27.9 t80 -70.07 -39.13 75.8 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.204 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.21 -28.13 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.64 -40.41 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -78.31 -35.83 47.3 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.106 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 74' ' ' TYR . 28.9 m -58.61 -39.54 76.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.491 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -74.25 -39.74 62.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.742 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.78 -28.24 3.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.0 mt -75.39 -35.58 61.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.0 m -67.72 -54.67 17.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.79 -17.09 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.644 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.88 26.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.9 t -148.83 -54.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.589 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -53.91 -40.25 66.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -53.49 -21.17 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.684 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.812 0.339 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -64.27 -40.44 95.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.635 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.5 OUTLIER -60.75 -48.68 80.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.228 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.51 -32.09 73.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.414 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.3 m -69.37 -34.91 75.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.634 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.61 -47.62 76.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 57.6 mmm -66.61 -34.62 78.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.385 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 13.1 tt0 -56.19 -36.27 68.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.64 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.0 m -58.56 -42.92 89.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.701 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.591 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.8 mm? -59.14 -31.28 68.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.446 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.7 mm -71.31 -43.59 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.735 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 34.7 m-80 -59.84 -55.59 32.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.449 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.5 p -61.14 -38.74 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.744 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.449 ' N ' HG13 ' B' ' 14' ' ' VAL . 84.9 t80 -57.83 -39.05 76.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.716 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -83.67 -17.89 39.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.707 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.06 61.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.632 ' CD2' HD13 ' B' ' 36' ' ' LEU . 63.0 m-70 -86.41 -10.4 54.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.835 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.4 m -76.37 4.23 9.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.654 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.62 -9.64 59.85 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -71.63 -65.13 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.715 0.293 . . . . 0.0 110.603 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -139.13 66.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -167.2 -178.93 39.85 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -97.78 -70.01 0.74 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.794 0.331 . . . . 0.0 110.598 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -144.84 -64.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.574 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -95.72 15.09 21.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -109.82 138.17 46.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.391 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -138.49 124.72 20.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.958 0.408 . . . . 0.0 110.279 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -67.65 147.45 52.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.439 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.624 ' HZ2' ' C ' ' B' ' 64' ' ' ASN . 1.2 tppp? -68.96 -38.09 79.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.046 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.71 ' CE ' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.86 -40.06 75.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 179.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.55 -28.37 37.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.335 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.713 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.7 tm? -59.01 -55.75 31.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.696 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.33 -37.2 55.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.847 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -79.04 -27.47 43.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.632 HD13 ' CD2' ' B' ' 18' ' ' HIS . 21.1 tp -64.46 -56.28 15.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.862 -179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.699 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.2 pp -51.67 -49.0 63.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.527 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.699 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.1 pt20 -68.32 -25.78 65.29 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.232 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.7 m -69.53 -40.64 76.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.293 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -93.62 -26.74 16.95 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.15 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.53 44.88 2.26 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 110.477 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -27.3 65.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.8 -51.4 7.12 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.538 ' C ' ' H ' ' B' ' 46' ' ' ASP . 6.7 m-85 -46.1 -64.19 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.924 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.606 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.6 pp -53.08 -4.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.995 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.538 ' H ' ' C ' ' B' ' 44' ' ' PHE . 10.9 t0 -101.39 -23.14 14.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.636 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.8 -3.03 33.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.145 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.3 pp0? -97.08 128.29 43.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 110.686 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -99.39 -2.26 36.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.5 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 90.1 m-20 -71.58 104.41 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.6 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.89 -31.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.62 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -71.82 -37.29 70.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.62 -51.44 69.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.668 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.75 -32.28 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.42 -44.13 80.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -65.49 -36.58 84.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.586 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.8 t -75.82 -30.63 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.2 ttm -72.65 -50.76 22.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -63.75 -31.6 72.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.458 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.429 ' HG2' HD22 ' B' ' 64' ' ' ASN . 85.6 tt0 -54.85 -36.03 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.578 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 40.9 mt -61.39 -35.56 77.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -74.24 -27.46 60.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.625 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -78.32 -40.97 35.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.34 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.624 ' C ' ' HZ2' ' B' ' 30' ' ' LYS . 68.8 m-80 -96.2 34.53 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.17 8.97 4.43 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' B' ' 64' ' ' ASN . 48.3 t0 -45.19 -23.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.328 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.75 -14.95 31.95 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -149.85 131.61 15.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.925 0.393 . . . . 0.0 110.55 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.402 ' H ' HG22 ' B' ' 69' ' ' VAL . 14.2 m -93.93 -171.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.628 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -124.25 151.63 43.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.229 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.07 -47.43 65.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.603 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.93 -33.72 69.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.72 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -75.62 -30.8 59.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.262 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' TYR . . . . . 0.671 ' O ' HG13 ' B' ' 78' ' ' VAL . 28.1 t80 -70.1 -39.17 75.68 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.265 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.24 -28.09 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.69 -40.35 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.427 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -78.34 -35.79 47.11 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.259 -0.576 . . . . 0.0 112.094 -178.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.671 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.3 m -58.68 -39.43 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.413 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.427 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -74.35 -39.8 62.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.666 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.58 -28.4 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.9 mt -75.26 -35.55 61.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.1 m -67.77 -54.71 17.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.777 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.9 -17.01 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.574 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.8 26.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.623 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 6.8 t -148.78 -54.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -53.9 -40.22 66.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.584 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -53.62 -21.16 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -72.32 160.71 31.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.722 0.296 . . . . 0.0 110.603 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.79 -36.63 79.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.528 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.598 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -60.01 -48.6 81.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -71.5 -31.76 67.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.571 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.6 m -69.39 -35.04 75.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.41 -44.66 76.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.492 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.2 mmm -68.47 -35.85 78.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.26 -34.88 64.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.665 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.1 m -61.63 -36.8 81.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.631 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.5 mm? -65.55 -31.4 72.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.415 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.8 mm -70.16 -44.78 77.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.924 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -59.95 -55.78 29.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.994 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.7 p -58.93 -43.67 89.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.74 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.521 ' N ' HG13 ' A' ' 14' ' ' VAL . 84.4 t80 -59.38 -36.91 76.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.676 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 19' ' ' SER . 3.0 t-80 -70.98 -59.51 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.762 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.48 -34.46 0.84 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.872 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.546 ' CD2' HD13 ' A' ' 36' ' ' LEU . 50.9 m-70 -87.54 -21.16 25.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 16' ' ' HIS . 51.6 m -72.53 -8.38 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.567 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.38 -2.13 89.16 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -65.32 -110.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.435 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -79.83 -29.89 40.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.478 ' O ' ' OD1' ' A' ' 24' ' ' ASP . . . -68.69 -144.32 0.13 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' A' ' 23' ' ' GLY . 97.0 m-20 -140.02 -61.85 0.52 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.751 0.31 . . . . 0.0 110.575 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -139.84 -64.65 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.46 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -97.54 1.88 49.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.405 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -99.82 139.59 35.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.678 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.575 ' N ' ' OE2' ' A' ' 68' ' ' GLU . 37.1 tp -150.29 126.47 10.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.391 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.1 p -70.97 147.0 49.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.593 ' HZ3' HD23 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -65.58 -37.47 86.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.386 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -56.91 -39.91 75.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.637 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -80.28 -40.9 25.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.789 HD23 ' O ' ' A' ' 33' ' ' LEU . 2.7 tt -65.29 -34.5 78.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.709 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -52.14 -44.51 64.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.565 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -79.62 -27.56 41.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.169 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.546 HD13 ' CD2' ' A' ' 18' ' ' HIS . 45.1 tp -58.55 -56.35 23.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.759 -179.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.0 pp -50.82 -47.43 60.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.572 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.653 ' N ' HD12 ' A' ' 37' ' ' LEU . 14.6 pt20 -76.39 -25.44 54.55 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.03 -0.268 . . . . 0.0 111.314 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.6 m -66.82 -39.47 87.71 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.337 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.585 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 2.8 mp0 -91.05 -26.89 18.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.013 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.54 43.7 2.01 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.825 0.345 . . . . 0.0 110.192 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.421 ' HA ' HD21 ' A' ' 45' ' ' LEU . 59.9 p -68.26 -27.36 66.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.79 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.97 -49.38 16.95 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.521 ' C ' ' H ' ' A' ' 46' ' ' ASP . 11.6 m-85 -49.36 -61.62 1.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.698 0.285 . . . . 0.0 110.734 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.555 ' C ' HD12 ' A' ' 45' ' ' LEU . 3.9 pp -55.06 -4.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.683 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.521 ' H ' ' C ' ' A' ' 44' ' ' PHE . 14.0 t0 -104.29 -20.21 13.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.556 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.04 -2.94 26.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.88 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.582 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 2.1 pp0? -96.65 129.5 44.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.852 0.358 . . . . 0.0 110.637 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -94.13 -15.38 24.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.477 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.582 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 65.3 m-20 -64.92 101.86 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.643 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.4 t -75.44 -31.7 24.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -71.95 -36.07 69.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.658 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.22 -51.35 69.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.653 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.22 -34.01 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.59 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.7 -42.52 93.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.53 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -62.64 -41.98 99.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.64 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -72.4 -30.47 34.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.761 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.9 ttt -70.86 -51.43 26.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.334 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 pttt -66.59 -31.65 72.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.619 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -52.87 -30.79 35.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.466 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.593 HD23 ' HZ3' ' A' ' 30' ' ' LYS . 95.8 mt -64.07 -39.94 95.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -69.76 -27.39 64.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.667 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -68.01 -40.99 82.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.532 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.533 ' C ' ' H ' ' A' ' 66' ' ' ASP . 70.3 m-80 -103.69 30.99 4.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.538 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -59.93 2.84 0.35 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' A' ' 64' ' ' ASN . 21.9 t70 -37.78 -24.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 110.41 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 108.01 -3.5 33.63 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.575 ' OE2' ' N ' ' A' ' 28' ' ' LEU . 6.9 tp10 -153.2 132.03 12.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.968 0.413 . . . . 0.0 110.814 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.571 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.69 -153.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.81 179.582 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.571 ' H ' HG12 ' A' ' 69' ' ' VAL . 59.3 t0 -148.71 140.56 23.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.028 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -48.49 -49.23 36.65 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.452 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -52.6 -36.12 55.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.232 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -75.74 -30.68 59.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.704 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.685 ' O ' HG13 ' A' ' 78' ' ' VAL . 21.7 t80 -64.21 -40.04 95.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.843 0.354 . . . . 0.0 110.759 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.9 -30.64 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.237 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.47 -38.36 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.8 pp -78.59 -35.57 45.58 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.114 -0.635 . . . . 0.0 111.847 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 74' ' ' TYR . 29.7 m -60.38 -40.21 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.261 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.45 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -74.72 -41.5 60.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.622 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.02 -29.02 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.686 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 77.6 mt -75.19 -39.21 60.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.726 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.432 HG22 ' OD1' ' A' ' 86' ' ' ASN . 80.4 m -64.68 -54.65 28.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.747 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.424 ' C ' ' H ' ' A' ' 85' ' ' CYS . 11.1 p -57.37 -25.79 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.546 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.87 20.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.557 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.424 ' H ' ' C ' ' A' ' 83' ' ' VAL . 40.8 t -141.99 -42.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.432 ' OD1' HG22 ' A' ' 82' ' ' THR . 34.7 m120 -53.07 -31.62 42.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.663 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -46.72 -28.68 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.586 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.72 -38.25 60.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.607 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -63.75 -56.68 13.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.472 ' CZ2' ' CE1' ' B' ' 16' ' ' HIS . 38.8 m95 -87.33 115.69 24.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.644 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -165.79 157.69 14.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.646 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -74.6 144.46 43.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.56 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.585 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -72.34 160.72 31.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 110.564 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.83 -36.67 79.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.598 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -59.91 -48.6 81.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.39 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -71.51 -31.73 67.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.529 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 32.6 m -69.39 -35.15 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.726 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.19 -44.67 75.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.606 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 66.2 mmm -68.57 -35.94 78.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.483 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.22 -34.94 64.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.625 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 18.5 m -61.55 -36.85 81.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.638 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.5 mm? -65.48 -31.46 72.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.431 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 14.7 mm -70.21 -44.68 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.929 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -60.2 -55.55 32.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.528 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.7 p -59.03 -43.57 89.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.764 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.528 ' N ' HG13 ' B' ' 14' ' ' VAL . 84.6 t80 -59.16 -37.15 76.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.772 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.532 ' O ' ' N ' ' B' ' 19' ' ' SER . 3.0 t-80 -71.02 -59.58 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.633 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -42.33 -34.55 0.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.925 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.553 ' CD2' HD13 ' B' ' 36' ' ' LEU . 50.7 m-70 -87.49 -21.17 25.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.779 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.532 ' N ' ' O ' ' B' ' 16' ' ' HIS . 51.9 m -72.61 -8.39 55.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.487 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.23 -2.18 89.32 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -65.27 -110.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.557 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -79.76 -30.0 40.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.415 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.477 ' O ' ' OD1' ' B' ' 24' ' ' ASP . . . -68.73 -144.2 0.13 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.477 ' OD1' ' O ' ' B' ' 23' ' ' GLY . 97.0 m-20 -140.01 -61.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.359 . . . . 0.0 110.485 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -139.8 -64.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.461 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -97.6 2.01 49.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.371 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -99.88 139.62 35.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.65 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.585 ' N ' ' OE2' ' B' ' 68' ' ' GLU . 36.4 tp -150.32 126.4 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.422 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 46.8 p -71.0 146.79 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.972 0.415 . . . . 0.0 111.02 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.622 ' HZ3' HD23 ' B' ' 61' ' ' LEU . 0.5 OUTLIER -65.41 -37.37 86.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.458 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -57.07 -39.8 75.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.649 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -80.28 -40.9 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.957 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.78 HD23 ' O ' ' B' ' 33' ' ' LEU . 2.7 tt -65.31 -34.54 78.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.65 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -52.05 -44.59 64.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.526 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -79.64 -27.38 40.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.257 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.553 HD13 ' CD2' ' B' ' 18' ' ' HIS . 45.4 tp -58.71 -56.36 23.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.744 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.65 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.0 pp -50.68 -47.6 58.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.594 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.65 ' N ' HD12 ' B' ' 37' ' ' LEU . 14.6 pt20 -76.29 -25.44 54.86 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.383 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 33.1 m -66.7 -39.71 88.18 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.336 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.588 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 2.7 mp0 -90.99 -26.79 19.05 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.008 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.62 43.67 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.209 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.415 ' HA ' HD21 ' B' ' 45' ' ' LEU . 60.1 p -68.28 -27.45 66.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.78 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.76 -49.52 17.58 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.517 ' C ' ' H ' ' B' ' 46' ' ' ASP . 11.5 m-85 -49.35 -61.58 2.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.675 0.274 . . . . 0.0 110.723 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.562 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.9 pp -55.15 -4.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.678 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' B' ' 44' ' ' PHE . 14.0 t0 -104.25 -20.3 13.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.638 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.86 -3.11 26.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.581 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 2.1 pp0? -96.57 129.34 43.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.637 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -94.06 -15.41 24.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.523 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.581 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 65.6 m-20 -65.01 102.04 0.57 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.452 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 96.4 t -75.36 -31.9 24.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.5 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -71.87 -35.93 69.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.669 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.39 -51.4 69.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.619 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.15 -34.12 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.571 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.57 -42.63 92.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.551 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -62.52 -42.0 99.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.654 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 62.0 t -72.5 -30.47 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.592 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.9 ttt -70.87 -51.33 27.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.43 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -66.57 -31.7 72.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.563 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -52.78 -30.87 35.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.387 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.622 HD23 ' HZ3' ' B' ' 30' ' ' LYS . 95.8 mt -64.17 -39.82 94.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.612 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -69.81 -27.45 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.639 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -67.96 -40.98 83.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.524 ' C ' ' H ' ' B' ' 66' ' ' ASP . 70.3 m-80 -103.72 31.03 4.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.53 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.574 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -60.05 2.99 0.35 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.524 ' H ' ' C ' ' B' ' 64' ' ' ASN . 21.7 t70 -37.79 -24.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.467 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 107.89 -3.16 33.79 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.585 ' OE2' ' N ' ' B' ' 28' ' ' LEU . 7.0 tp10 -153.29 132.06 12.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.378 . . . . 0.0 110.69 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.568 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.7 OUTLIER -93.81 -153.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.558 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.568 ' H ' HG12 ' B' ' 69' ' ' VAL . 59.5 t0 -149.25 140.64 23.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.877 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -48.54 -49.24 37.09 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.413 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -52.51 -36.23 54.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.257 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -75.6 -30.79 59.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.689 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.677 ' O ' HG13 ' B' ' 78' ' ' VAL . 21.7 t80 -64.19 -40.08 95.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.798 0.332 . . . . 0.0 110.781 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.84 -30.58 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.64 -38.3 30.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.415 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.8 pp -78.54 -35.6 45.91 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.921 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.677 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.3 m -60.32 -40.23 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.348 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.45 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -74.75 -41.31 60.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.734 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.16 -28.94 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.62 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 77.4 mt -75.2 -39.24 60.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.72 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.436 HG22 ' OD1' ' B' ' 86' ' ' ASN . 81.4 m -64.69 -54.74 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.643 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.432 ' C ' ' H ' ' B' ' 85' ' ' CYS . 11.2 p -57.33 -25.78 24.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.546 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.84 20.74 0.23 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.432 ' H ' ' C ' ' B' ' 83' ' ' VAL . 41.1 t -141.89 -42.86 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.436 ' OD1' HG22 ' B' ' 82' ' ' THR . 34.7 m120 -52.97 -31.65 41.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.635 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -46.62 -28.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.497 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.79 -38.3 60.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.485 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -63.77 -56.64 14.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.579 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.476 ' CZ2' ' CE1' ' A' ' 16' ' ' HIS . 38.9 m95 -87.29 115.61 24.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -165.8 157.83 14.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.68 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -74.76 144.56 43.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.49 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.599 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -82.87 158.87 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 110.496 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -52.19 -31.07 30.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -71.36 -48.54 49.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.407 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.98 -35.25 80.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.59 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.8 p -69.36 -34.78 75.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.698 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.04 -37.04 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.69 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.0 mmm -75.58 -38.47 59.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.457 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -54.64 -35.34 63.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.671 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.1 m -58.89 -41.04 86.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.752 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.613 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -63.31 -31.3 72.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.483 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.42 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 15.2 mm -70.89 -38.67 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -59.78 -55.06 38.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.779 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.65 -37.25 75.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.52 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -60.73 -46.08 91.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.56 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -77.35 -18.07 57.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.678 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.74 -35.76 65.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.697 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.58 ' CD2' HD13 ' A' ' 36' ' ' LEU . 45.9 m-70 -92.55 -13.33 29.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.717 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.6 m -74.77 3.65 7.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.56 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.63 3.74 71.79 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -82.31 -75.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.784 0.326 . . . . 0.0 110.61 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -112.63 -42.9 3.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.623 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.63 165.53 3.87 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -86.06 -59.37 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 110.627 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.5 mttp -145.17 -69.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.446 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.517 ' CZ ' HG23 ' B' ' 83' ' ' VAL . 0.1 OUTLIER -90.27 -3.58 57.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.127 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -92.13 146.59 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.623 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.7 tp -144.04 122.11 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.454 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -62.96 147.87 49.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' HZ3' ' HB3' ' A' ' 61' ' ' LEU . 26.4 tptp -68.2 -40.57 82.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.415 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.488 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.85 -37.14 70.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.849 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -81.51 -31.68 32.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.545 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.783 HD23 ' O ' ' A' ' 33' ' ' LEU . 2.6 tt -72.13 -39.14 69.02 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.819 0.304 . . . . 0.0 111.819 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 10.4 ptmm? -51.34 -40.54 59.31 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.841 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' O ' ' OG1' ' A' ' 39' ' ' THR . 91.2 mt-10 -79.66 -31.97 41.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.58 HD13 ' CD2' ' A' ' 18' ' ' HIS . 31.0 tp -55.58 -56.2 23.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.924 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.0 pp -50.47 -48.21 56.76 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.016 -0.273 . . . . 0.0 111.545 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.659 ' N ' HD12 ' A' ' 37' ' ' LEU . 20.5 pt20 -75.22 -25.68 58.35 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.066 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 57.3 m -65.76 -38.48 89.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.062 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.5 ' C ' HD12 ' A' ' 41' ' ' LEU . 63.6 mm-40 -92.17 -26.71 18.1 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.069 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.3 mp -114.69 45.01 1.64 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 0.0 110.426 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -68.41 -27.42 66.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.32 -52.46 5.6 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.529 ' C ' ' H ' ' A' ' 46' ' ' ASP . 12.9 m-85 -46.93 -63.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.656 0.265 . . . . 0.0 110.864 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.489 ' C ' HD12 ' A' ' 45' ' ' LEU . 3.8 pp -53.79 -4.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.718 0.294 . . . . 0.0 110.9 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' A' ' 44' ' ' PHE . 5.4 t70 -105.61 -20.84 13.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.791 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.94 -2.96 33.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.956 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.507 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.0 pp0? -93.16 139.19 30.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 110.773 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -103.48 -12.15 17.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.491 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.507 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 83.9 m-20 -71.31 98.16 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.562 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.7 t -70.96 -27.68 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.568 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -73.5 -37.29 65.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.707 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.81 -51.41 68.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.681 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.3 p -66.0 -32.27 57.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.619 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.48 -47.68 81.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -62.13 -37.21 84.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.63 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.2 t -76.37 -30.6 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.628 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.83 -51.6 21.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -63.2 -31.82 73.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.486 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.417 ' OE2' ' ND2' ' A' ' 64' ' ' ASN . 44.5 tp10 -53.15 -33.69 53.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.616 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.443 ' HB3' ' HZ3' ' A' ' 30' ' ' LYS . 59.5 mt -62.16 -36.24 81.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.654 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -74.71 -27.86 60.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -78.15 -41.23 35.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.767 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.52 ' C ' ' H ' ' A' ' 66' ' ' ASP . 32.1 m-80 -88.97 24.26 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.62 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.13 24.25 0.71 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' A' ' 64' ' ' ASN . 52.8 m-20 -58.94 -44.81 91.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.804 0.335 . . . . 0.0 110.628 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.0 -27.12 2.31 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -146.75 132.35 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 110.427 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.515 HG21 HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -92.43 -154.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.103 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.503 ' H ' HG12 ' A' ' 69' ' ' VAL . 49.8 t0 -143.29 138.87 29.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.044 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.42 ' CZ ' ' CD1' ' A' ' 12' ' ' ILE . 33.3 t80 -48.73 -48.03 40.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 0.0 110.646 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -51.77 -35.69 44.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.477 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.87 -30.88 59.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.691 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.7 ' O ' HG13 ' A' ' 78' ' ' VAL . 28.7 t80 -64.37 -39.27 93.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.971 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -75.74 -30.99 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.64 -39.12 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.8 pp -78.31 -35.09 48.23 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.074 -0.65 . . . . 0.0 111.983 -178.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 74' ' ' TYR . 28.7 m -60.96 -42.88 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.44 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.479 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -72.98 -39.31 66.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.8 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.36 -27.9 2.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.366 . . . . 0.0 110.68 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.7 mt -75.31 -37.43 60.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.8 m -64.91 -54.76 25.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.52 HG23 ' CZ ' ' B' ' 26' ' ' TYR . 3.6 p -49.78 -38.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.707 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.16 -13.49 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.693 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.9 t -97.05 -50.97 4.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.731 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.501 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 0.7 OUTLIER -47.03 -39.35 12.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.64 -179.843 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 90' ' ' TRP . 56.7 t30 -47.22 -24.31 0.69 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.599 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -50.1 -35.86 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.42 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -63.32 -55.19 26.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.612 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.457 ' CD2' ' O ' ' A' ' 90' ' ' TRP . 43.4 p-90 -106.64 104.18 13.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.609 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -87.34 -45.1 10.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.529 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -103.1 145.48 29.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.542 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.592 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -82.88 158.94 22.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.789 0.328 . . . . 0.0 110.652 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -52.33 -30.83 30.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.672 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.61 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -71.45 -48.37 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.498 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.28 -35.2 80.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.545 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 40.6 p -69.37 -34.67 74.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.14 -37.05 66.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.671 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.8 mmm -75.52 -38.51 59.34 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.532 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -54.58 -35.34 63.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.678 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 15.3 m -58.89 -40.98 86.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.615 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.7 mm? -63.29 -31.38 72.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.474 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.429 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 15.1 mm -70.81 -38.68 73.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -59.88 -55.08 38.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.746 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.57 -37.2 74.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.676 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -60.77 -46.06 91.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.487 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -77.46 -17.96 57.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.621 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.82 -35.79 64.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.573 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.589 ' CD2' HD13 ' B' ' 36' ' ' LEU . 46.0 m-70 -92.64 -13.17 29.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.637 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 48.2 m -74.83 3.7 7.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.621 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.6 3.73 71.89 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -82.3 -75.26 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.842 0.354 . . . . 0.0 110.683 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -112.71 -42.83 3.54 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.645 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.69 165.6 3.9 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -86.07 -59.37 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.738 0.304 . . . . 0.0 110.625 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -145.22 -69.62 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.447 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.52 ' CZ ' HG23 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -90.23 -3.54 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.099 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -92.2 146.53 23.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.517 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 tp -144.02 122.16 12.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -62.89 147.94 48.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.433 ' HZ3' HD22 ' B' ' 61' ' ' LEU . 26.3 tptp -68.19 -40.55 82.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.458 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.479 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.82 -37.31 71.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.614 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -81.39 -31.59 33.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.655 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.766 HD23 ' O ' ' B' ' 33' ' ' LEU . 2.6 tt -72.24 -38.96 68.8 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.443 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 10.3 ptmm? -51.42 -40.48 59.43 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.791 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 91.0 mt-10 -79.83 -31.84 40.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.051 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.589 HD13 ' CD2' ' B' ' 18' ' ' HIS . 31.9 tp -55.45 -56.3 21.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.888 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.658 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.0 pp -50.55 -48.26 57.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.449 -178.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.658 ' N ' HD12 ' B' ' 37' ' ' LEU . 20.5 pt20 -75.12 -25.71 58.66 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.14 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 56.1 m -65.65 -38.54 89.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.09 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.502 ' C ' HD12 ' B' ' 41' ' ' LEU . 63.5 mm-40 -92.13 -26.84 18.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.092 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.506 ' N ' HD12 ' B' ' 41' ' ' LEU . 8.3 mp -114.65 45.11 1.62 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.393 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t -68.33 -27.54 66.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.34 -52.27 5.69 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.532 ' C ' ' H ' ' B' ' 46' ' ' ASP . 13.1 m-85 -47.0 -63.88 0.92 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.733 0.302 . . . . 0.0 110.91 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.491 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.8 pp -53.95 -4.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.843 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.532 ' H ' ' C ' ' B' ' 44' ' ' PHE . 5.4 t70 -105.63 -20.94 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.684 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.97 -2.84 33.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.039 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.492 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 2.9 pp0? -93.34 139.33 30.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 110.78 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -103.56 -12.26 17.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.483 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.492 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 83.4 m-20 -71.11 98.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.675 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.7 t -71.13 -27.44 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.539 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -73.69 -37.4 65.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.628 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.5 -51.7 67.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.663 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.85 -32.25 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.59 -47.52 81.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.57 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -62.31 -37.25 84.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.505 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 75.6 t -76.19 -30.68 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.64 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.6 ttt -71.86 -51.42 22.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.461 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -63.3 -31.66 72.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.6 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.42 ' OE2' ' ND2' ' B' ' 64' ' ' ASN . 44.6 tp10 -53.31 -33.69 54.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.433 HD22 ' HZ3' ' B' ' 30' ' ' LYS . 59.2 mt -62.07 -36.39 81.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.542 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -74.74 -27.7 60.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.81 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -78.34 -41.02 34.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.746 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.527 ' C ' ' H ' ' B' ' 66' ' ' ASP . 32.1 m-80 -89.03 24.27 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.576 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.12 24.2 0.71 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' B' ' 64' ' ' ASN . 53.0 m-20 -58.88 -44.75 91.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.677 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 141.76 -26.71 2.37 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -146.85 132.26 18.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.302 . . . . 0.0 110.469 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.528 HG21 HD13 ' B' ' 33' ' ' LEU . 0.3 OUTLIER -93.47 -154.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.018 0.437 . . . . 0.0 110.829 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.505 ' H ' HG12 ' B' ' 69' ' ' VAL . 49.6 t0 -143.07 138.89 30.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.121 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.429 ' CZ ' ' CD1' ' B' ' 12' ' ' ILE . 33.4 t80 -48.61 -48.15 39.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.614 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -51.71 -35.83 44.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.402 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -75.76 -30.95 59.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.703 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.68 ' O ' HG13 ' B' ' 78' ' ' VAL . 28.7 t80 -64.31 -39.3 93.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.948 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.3 m -75.77 -30.95 21.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.66 -39.17 31.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.404 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.8 pp -78.44 -35.02 47.4 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.106 -0.637 . . . . 0.0 111.919 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.68 HG13 ' O ' ' B' ' 74' ' ' TYR . 28.4 m -60.94 -42.89 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.499 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.48 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -73.06 -39.29 66.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.37 -27.78 2.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.683 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -75.43 -37.36 60.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.698 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 86.0 m -64.94 -54.75 25.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.776 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.517 HG23 ' CZ ' ' A' ' 26' ' ' TYR . 3.6 p -49.78 -38.59 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.733 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.97 -13.5 46.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.808 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.9 t -97.05 -50.97 4.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.763 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.509 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 0.7 OUTLIER -47.19 -39.2 13.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.682 -179.776 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' B' ' 90' ' ' TRP . 56.7 t30 -47.2 -24.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.503 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -50.11 -35.84 27.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.354 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -63.41 -55.2 26.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.542 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.462 ' O ' ' CD2' ' B' ' 90' ' ' TRP . 43.7 p-90 -106.66 104.3 13.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.612 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -87.33 -45.18 10.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.423 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -103.19 145.35 30.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.558 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.501 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t -71.7 144.43 49.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.853 0.358 . . . . 0.0 110.512 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.02 -41.51 98.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.616 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.793 ' C ' HD13 ' A' ' 4' ' ' LEU . 2.9 tm? -60.09 -48.56 81.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.223 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.77 -36.3 80.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.8 m -64.86 -34.98 79.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.479 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.45 -46.72 76.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.652 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.9 mmm -64.02 -41.13 97.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.517 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 22.8 tt0 -53.81 -35.16 61.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.418 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m -59.24 -47.03 86.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.601 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 11' ' ' LEU . 4.0 mm? -53.0 -31.31 40.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.416 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -71.01 -43.57 76.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.7 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 5.1 m-80 -59.99 -55.67 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.906 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 15' ' ' PHE . 13.4 p -59.33 -40.78 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.617 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.48 ' N ' HG13 ' A' ' 14' ' ' VAL . 79.0 t80 -63.26 -42.48 99.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.664 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -76.56 -20.76 56.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.772 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.77 -43.34 55.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.783 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.472 ' CG ' HD13 ' A' ' 36' ' ' LEU . 45.2 m-70 -85.59 -9.15 57.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.825 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 41.0 m -72.42 -20.98 61.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.702 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.9 -14.73 61.43 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -58.58 -108.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.759 0.314 . . . . 0.0 110.537 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -78.15 -36.87 47.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.671 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.95 174.19 46.89 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.536 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 20.4 p-10 -86.19 -68.03 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.747 0.308 . . . . 0.0 110.624 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 51.2 mttm -148.17 -50.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.02 -17.27 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.177 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -90.04 143.03 27.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.63 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 tp -140.78 122.98 15.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.411 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.0 p -75.16 144.7 42.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -67.99 -29.53 68.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.419 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -56.55 -44.42 80.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.913 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -80.42 -28.69 37.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.944 0.402 . . . . 0.0 110.614 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.671 ' O ' HD13 ' A' ' 33' ' ' LEU . 2.5 tm? -53.42 -51.14 63.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.01 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 11.2 ptmm? -51.25 -38.06 50.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 0.0 110.792 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' O ' ' OG1' ' A' ' 39' ' ' THR . 96.3 mt-10 -78.79 -27.33 44.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.472 HD13 ' CG ' ' A' ' 18' ' ' HIS . 21.9 tp -65.91 -56.25 12.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.752 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.95 -49.48 63.1 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.394 -178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.689 ' N ' HD12 ' A' ' 37' ' ' LEU . 15.2 pt20 -67.41 -25.82 66.13 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.722 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 30.0 m -75.74 -35.83 60.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.198 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.55 ' C ' HD12 ' A' ' 41' ' ' LEU . 65.8 mm-40 -93.91 -26.85 16.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.355 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.55 HD12 ' C ' ' A' ' 40' ' ' GLU . 9.7 mp -118.44 45.97 1.91 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.854 0.359 . . . . 0.0 110.522 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -68.12 -27.54 66.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.37 -53.44 5.57 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -45.16 -66.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.628 0.251 . . . . 0.0 110.814 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 pp -52.33 -16.71 0.91 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.127 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -80.36 -48.16 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 110.608 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.98 39.24 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.494 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.481 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -102.26 134.59 45.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.653 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -108.95 -6.2 15.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -91.8 104.43 16.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.57 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -80.4 -28.77 11.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.634 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -74.52 -37.48 63.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.735 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.84 -51.19 67.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.691 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 55' ' ' ASP . 15.0 p -64.54 -36.84 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.691 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.414 ' N ' HG13 ' A' ' 54' ' ' VAL . 46.7 t0 -56.95 -47.14 81.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.604 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -63.56 -37.66 88.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.532 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.68 -30.45 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ttm -70.21 -51.53 30.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.09 -31.68 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.442 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -54.41 -34.43 61.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.3 mt -58.99 -36.9 75.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -74.67 -27.88 60.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -69.14 -41.35 77.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.563 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -100.58 33.04 2.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.517 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.51 18.52 4.51 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -51.6 -44.79 62.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 0.0 110.436 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.94 -16.54 3.25 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -142.94 132.89 24.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.983 0.421 . . . . 0.0 110.384 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -92.43 -154.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.197 -179.431 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.577 ' H ' HG12 ' A' ' 69' ' ' VAL . 62.6 m-20 -153.09 142.92 22.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.034 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -48.51 -52.95 19.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.743 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -56.08 -33.34 64.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.695 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' O ' HD23 ' A' ' 77' ' ' LEU . 72.1 mm-40 -75.72 -30.8 59.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.184 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.559 ' O ' HG13 ' A' ' 78' ' ' VAL . 23.1 t80 -72.1 -40.78 67.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.935 0.398 . . . . 0.0 111.125 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.0 m -74.88 -27.8 20.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.9 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.26 -39.51 35.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -78.32 -34.68 48.46 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.995 -178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.8 m -62.44 -43.94 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 C-N-CA 120.214 -0.595 . . . . 0.0 110.417 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.494 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -71.03 -35.85 72.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.811 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.04 -31.65 52.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.58 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.66 -30.9 59.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.546 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.0 m -69.84 -55.74 8.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.9 p -58.44 -31.05 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.746 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.14 -22.54 66.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.594 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -94.36 -39.31 10.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -54.85 -41.39 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.718 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 90' ' ' TRP . 7.2 t-20 -47.68 -24.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.631 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -59.37 -45.78 90.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -58.4 -50.21 74.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.619 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.479 ' O ' ' O ' ' A' ' 87' ' ' ASN . 53.4 m95 -95.49 -177.12 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.538 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.408 ' HG3' HD21 ' A' ' 87' ' ' ASN . 78.5 mm-40 51.83 54.54 10.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.561 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -75.71 128.75 35.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.51 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.535 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -71.63 144.42 49.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.565 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.11 -41.43 98.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.791 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.9 tm? -60.09 -48.69 80.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.167 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.68 -36.43 80.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.501 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 25.4 m -64.74 -35.0 79.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.509 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.5 -46.74 76.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.6 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 51.5 mmm -64.02 -41.09 97.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.462 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.519 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 23.0 tt0 -53.76 -35.16 60.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.507 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.0 m -59.29 -46.89 87.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.683 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.55 ' N ' HD22 ' B' ' 11' ' ' LEU . 4.0 mm? -53.05 -31.31 40.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.466 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 mm -71.0 -43.64 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.7 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 5.1 m-80 -59.97 -55.66 31.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.486 HG13 ' N ' ' B' ' 15' ' ' PHE . 13.4 p -59.29 -40.77 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.689 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.486 ' N ' HG13 ' B' ' 14' ' ' VAL . 78.9 t80 -63.37 -42.33 98.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.651 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -76.53 -20.82 56.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.766 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.72 -43.33 55.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.804 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.46 ' CG ' HD13 ' B' ' 36' ' ' LEU . 45.7 m-70 -85.55 -9.09 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.921 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 41.8 m -72.49 -21.09 61.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.619 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.84 -14.8 61.41 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -58.62 -108.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.682 0.277 . . . . 0.0 110.464 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -78.13 -36.87 47.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.66 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.92 174.27 46.7 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.534 ' CG ' ' H ' ' B' ' 25' ' ' LYS . 20.0 p-10 -86.19 -68.07 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.33 . . . . 0.0 110.562 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.534 ' H ' ' CG ' ' B' ' 24' ' ' ASP . 51.1 mttm -148.16 -50.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.621 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.03 -17.31 22.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.195 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -89.89 143.05 27.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.741 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.3 tp -140.82 123.02 15.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 52.9 p -75.25 144.84 42.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.004 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -68.12 -29.54 68.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.328 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -56.46 -44.62 80.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.837 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -80.46 -28.41 37.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.915 0.388 . . . . 0.0 110.69 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.668 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.5 tm? -53.5 -51.29 63.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.913 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 11.2 ptmm? -51.22 -37.99 49.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.745 0.307 . . . . 0.0 110.692 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.421 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 96.3 mt-10 -78.89 -27.23 43.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.736 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.46 HD13 ' CG ' ' B' ' 18' ' ' HIS . 21.9 tp -66.04 -56.1 13.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.757 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.693 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -52.14 -49.45 63.68 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.419 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.693 ' N ' HD12 ' B' ' 37' ' ' LEU . 15.2 pt20 -67.42 -25.62 66.02 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.824 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 29.5 m -75.83 -35.87 59.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.561 ' C ' HD12 ' B' ' 41' ' ' LEU . 65.7 mm-40 -93.85 -26.83 16.75 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.343 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.561 HD12 ' C ' ' B' ' 40' ' ' GLU . 9.7 mp -118.37 45.93 1.91 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.774 0.321 . . . . 0.0 110.415 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 84.7 p -68.37 -27.24 66.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.46 -53.44 5.53 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.344 -0.703 . . . . 0.0 111.344 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -45.3 -66.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.862 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -52.19 -16.9 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.165 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -80.3 -48.21 13.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.675 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.87 39.41 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.449 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.485 ' OE1' ' O ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -102.4 134.57 45.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.568 -179.781 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -108.93 -6.3 15.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.469 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -91.65 104.41 16.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.633 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 68.5 t -80.36 -28.87 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.638 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -74.57 -37.38 62.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.69 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.81 -51.22 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.424 HG13 ' N ' ' B' ' 55' ' ' ASP . 15.0 p -64.63 -36.7 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.693 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.424 ' N ' HG13 ' B' ' 54' ' ' VAL . 46.6 t0 -57.04 -47.05 81.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.62 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -63.56 -37.73 88.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.549 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 87.7 t -74.54 -30.57 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.66 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.8 ttm -70.25 -51.43 30.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.08 -31.66 72.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.543 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -54.46 -34.4 61.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.557 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -59.02 -36.71 75.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -74.81 -27.8 60.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.629 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.19 -41.48 77.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.392 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -100.4 32.84 2.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.474 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.27 18.4 4.34 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -51.54 -44.76 62.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 139.1 -17.35 3.18 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -141.62 133.28 27.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.378 . . . . 0.0 110.509 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.565 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -93.58 -154.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.994 -179.457 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.565 ' H ' HG12 ' B' ' 69' ' ' VAL . 62.6 m-20 -153.19 143.05 22.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.036 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -48.61 -53.02 20.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.783 0.325 . . . . 0.0 110.681 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -55.93 -33.46 64.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.771 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.411 ' O ' HD23 ' B' ' 77' ' ' LEU . 72.3 mm-40 -75.75 -30.72 59.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.159 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.562 ' O ' HG13 ' B' ' 78' ' ' VAL . 23.0 t80 -72.13 -40.72 67.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.833 0.349 . . . . 0.0 111.106 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.6 m -74.91 -27.68 20.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.022 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.25 -39.55 35.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.419 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -78.35 -34.64 48.32 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.003 -0.679 . . . . 0.0 111.978 -178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.562 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.8 m -62.4 -44.13 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.409 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.498 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -70.86 -35.81 72.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.08 -31.67 52.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.586 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -75.51 -31.16 60.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.475 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -69.85 -55.77 8.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.8 p -58.23 -31.18 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.15 -22.46 66.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.618 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -94.29 -39.36 10.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.614 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -54.93 -41.34 70.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.716 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.481 ' O ' ' O ' ' B' ' 90' ' ' TRP . 7.2 t-20 -47.73 -24.38 0.93 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.712 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -59.36 -45.72 90.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -58.53 -50.04 75.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.808 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.481 ' O ' ' O ' ' B' ' 87' ' ' ASN . 53.6 m95 -95.41 -177.17 4.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.504 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.41 ' HG3' HD21 ' B' ' 87' ' ' ASN . 78.5 mm-40 51.79 54.52 10.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.595 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -75.79 128.76 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.554 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.479 -179.906 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.581 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -68.61 162.92 24.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.834 0.35 . . . . 0.0 110.615 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.72 -34.39 74.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.613 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.782 ' C ' HD13 ' A' ' 4' ' ' LEU . 2.9 tm? -56.72 -48.46 77.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.03 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.52 -33.13 74.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.317 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.4 m -67.58 -35.12 78.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.487 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.33 -45.55 80.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.466 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.8 mmm -64.31 -37.12 86.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.371 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -55.31 -38.52 68.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.5 m -57.28 -43.83 83.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.664 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.575 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -57.16 -31.17 65.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.547 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.5 mm -70.58 -41.77 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.732 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -62.02 -55.56 27.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.1 p -62.24 -38.08 80.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.679 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.439 ' N ' HG13 ' A' ' 14' ' ' VAL . 93.2 t80 -61.94 -38.0 86.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.725 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -88.73 -18.05 28.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.777 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.67 -35.53 77.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.779 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.526 ' CD2' HD13 ' A' ' 36' ' ' LEU . 57.1 m-70 -93.59 -7.75 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.755 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.472 ' O ' ' O ' ' A' ' 23' ' ' GLY . 69.7 m -74.41 -10.43 59.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.77 -17.72 79.59 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -55.38 -73.57 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 0.0 110.647 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -117.16 -56.37 2.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 19' ' ' SER . . . -52.64 158.93 3.4 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -71.77 -64.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.616 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -145.58 -72.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.435 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -77.47 -5.89 51.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.267 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -94.81 138.69 32.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.541 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -143.8 123.83 13.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.264 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.4 p -68.81 142.65 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.499 ' HZ1' ' HB2' ' A' ' 64' ' ' ASN . 33.2 tptt -66.65 -32.49 73.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.478 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -57.54 -42.73 83.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.666 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -80.77 -28.24 36.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.014 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.777 HD13 ' C ' ' A' ' 33' ' ' LEU . 3.2 tm? -60.84 -51.32 69.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.762 -179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -51.82 -34.76 41.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.636 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -78.65 -27.29 45.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.517 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.526 HD13 ' CD2' ' A' ' 18' ' ' HIS . 19.6 tp -72.43 -56.25 5.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.368 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.712 ' C ' HD12 ' A' ' 37' ' ' LEU . 1.4 pp -50.84 -39.83 54.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.285 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.548 ' N ' HD12 ' A' ' 37' ' ' LEU . 9.6 pt20 -76.97 -25.99 53.41 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.03 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.5 m -75.85 -37.34 59.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.45 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -88.07 -26.98 22.25 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.411 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.33 44.41 2.46 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.847 0.356 . . . . 0.0 110.342 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.492 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 52.0 p -68.43 -27.92 66.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.76 -50.6 10.88 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.406 ' C ' ' H ' ' A' ' 46' ' ' ASP . 19.1 m-85 -49.45 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.587 0.232 . . . . 0.0 110.869 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.82 -8.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.319 . . . . 0.0 110.772 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' OD2' ' O ' ' A' ' 42' ' ' SER . 29.9 m-20 -105.8 -11.4 16.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.589 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.56 -2.97 14.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.571 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.3 pp0? -101.15 133.93 44.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.619 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -94.92 -9.75 33.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.571 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 49.9 m-20 -68.01 102.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.5 t -79.4 -29.74 13.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -71.36 -36.93 71.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.674 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.16 -51.45 67.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.762 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.1 -31.85 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.695 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -55.18 -48.26 74.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.743 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.55 -36.08 81.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.611 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.5 t -73.75 -30.56 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.685 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.2 ttt -74.3 -51.65 14.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.753 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -62.09 -32.49 73.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.55 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.436 ' OE1' ' C ' ' A' ' 60' ' ' GLU . 13.6 tm-20 -55.66 -33.67 64.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.42 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.9 mt -60.88 -37.44 82.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.562 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.87 -28.64 60.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.684 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -75.9 -40.96 53.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.498 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.499 ' HB2' ' HZ1' ' A' ' 30' ' ' LYS . 2.6 m-80 -94.31 44.33 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.522 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -83.26 7.02 69.2 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' GLY . 51.0 t0 -36.94 -28.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.441 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 111.03 -11.23 29.34 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -144.18 132.21 21.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.978 0.418 . . . . 0.0 110.608 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.605 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.82 -154.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.329 -179.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.605 ' H ' HG12 ' A' ' 69' ' ' VAL . 70.0 m-20 -152.61 142.35 21.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.966 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -49.11 -49.07 43.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.759 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -58.52 -33.62 70.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.435 ' O ' HD23 ' A' ' 77' ' ' LEU . 68.1 mm-40 -73.59 -30.94 63.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.091 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.553 ' O ' HG13 ' A' ' 78' ' ' VAL . 16.1 t80 -69.06 -42.67 75.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.929 0.395 . . . . 0.0 111.132 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.4 m -75.14 -28.0 20.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -39.6 32.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 73' ' ' GLU . 2.5 pp -77.9 -35.04 51.14 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.071 -0.651 . . . . 0.0 111.923 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 74' ' ' TYR . 30.7 m -61.71 -43.33 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.624 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.474 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -68.97 -40.98 78.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.921 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.34 -30.77 19.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.652 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.38 -33.79 61.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.632 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.7 m -68.46 -55.41 11.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.896 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 p -53.36 -29.68 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.752 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.67 -26.59 67.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.655 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.7 t -91.1 -53.28 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.775 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -48.98 -38.11 22.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.76 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.478 ' O ' ' O ' ' A' ' 90' ' ' TRP . 20.1 t-20 -54.5 -24.5 20.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.694 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -57.07 -39.78 75.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.773 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -64.36 -48.1 76.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.648 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.478 ' O ' ' O ' ' A' ' 87' ' ' ASN . 72.8 m95 -91.07 125.31 35.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.544 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -171.6 -51.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.484 ' O ' ' O ' ' A' ' 93' ' ' SER . 28.5 t-20 51.06 97.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.484 ' O ' ' O ' ' A' ' 92' ' ' ASN . 1.9 t . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.568 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -68.76 162.92 25.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.568 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.71 -34.25 74.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.627 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.788 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.9 tm? -56.84 -48.4 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.32 -33.26 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.466 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 27.6 m -67.62 -35.02 78.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.461 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.4 -45.55 80.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.509 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.7 mmm -64.34 -37.12 86.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.312 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -55.26 -38.56 68.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.5 m -57.25 -43.83 83.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.652 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.555 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.8 mm? -57.33 -31.15 65.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.434 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -70.45 -41.89 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -61.89 -55.47 29.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.431 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.2 p -62.31 -38.14 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.695 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.431 ' N ' HG13 ' B' ' 14' ' ' VAL . 93.3 t80 -62.0 -37.87 86.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.719 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -88.91 -17.94 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.763 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.65 -35.53 77.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.711 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.526 ' CD2' HD13 ' B' ' 36' ' ' LEU . 57.5 m-70 -93.68 -7.67 43.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.729 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.46 ' O ' ' O ' ' B' ' 23' ' ' GLY . 68.8 m -74.49 -10.32 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.614 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.85 -17.64 79.64 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -55.41 -73.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.848 0.356 . . . . 0.0 110.643 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -117.28 -56.35 2.24 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.514 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' B' ' 19' ' ' SER . . . -52.69 158.93 3.44 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -71.81 -64.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.561 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -145.6 -72.52 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.466 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -77.54 -5.97 51.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.259 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -94.74 138.67 32.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.591 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.6 tp -143.68 123.85 13.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.226 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 50.9 p -68.75 142.52 54.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.419 ' HZ1' ' HB2' ' B' ' 64' ' ' ASN . 33.4 tptt -66.46 -32.61 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.434 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -57.52 -42.76 83.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.683 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -80.64 -28.34 36.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.06 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.766 ' C ' HD13 ' B' ' 33' ' ' LEU . 3.2 tm? -60.78 -51.32 69.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.785 -179.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -51.83 -34.86 42.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.572 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -78.66 -27.3 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.47 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.526 HD13 ' CD2' ' B' ' 18' ' ' HIS . 19.8 tp -72.32 -56.25 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.449 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.72 ' C ' HD12 ' B' ' 37' ' ' LEU . 1.4 pp -50.9 -39.8 55.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.171 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.556 ' N ' HD12 ' B' ' 37' ' ' LEU . 9.6 pt20 -77.01 -25.9 53.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 111.081 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 50.3 m -75.97 -37.19 58.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.418 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -88.2 -26.97 22.11 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.344 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.28 44.29 2.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.294 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.492 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 51.9 p -68.28 -27.94 66.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.748 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.85 -50.43 11.12 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.422 ' C ' ' H ' ' B' ' 46' ' ' ASP . 19.3 m-85 -49.44 -65.35 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.643 0.258 . . . . 0.0 110.907 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.84 -8.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.758 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.492 ' OD2' ' O ' ' B' ' 42' ' ' SER . 29.9 m-20 -105.78 -11.44 16.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.614 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.65 -2.94 14.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.57 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.3 pp0? -101.11 134.01 44.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.619 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -95.0 -9.67 33.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.608 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.57 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 50.0 m-20 -68.1 102.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.582 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -79.36 -29.72 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.657 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -71.28 -36.99 71.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.654 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.33 68.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.742 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.12 -31.96 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.589 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -55.14 -48.22 73.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.54 -36.02 81.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.657 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.84 -30.44 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.716 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.3 ttt -74.31 -51.73 14.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.72 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -62.21 -32.3 72.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.584 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.441 ' C ' ' OE1' ' B' ' 60' ' ' GLU . 13.7 tm-20 -55.82 -33.56 64.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.38 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.99 -37.39 82.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.558 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -74.85 -28.54 60.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.75 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -75.95 -41.06 52.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.399 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.419 ' HB2' ' HZ1' ' B' ' 30' ' ' LYS . 2.6 m-80 -94.28 44.4 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.064 0.459 . . . . 0.0 110.602 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -83.18 6.77 70.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' B' ' 65' ' ' GLY . 51.0 t0 -36.93 -28.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.396 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 110.95 -11.44 29.49 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -143.68 132.54 22.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.6 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.589 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.7 OUTLIER -94.41 -153.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.045 -179.565 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.589 ' H ' HG12 ' B' ' 69' ' ' VAL . 70.1 m-20 -152.66 142.35 21.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.994 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -49.0 -49.27 41.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.71 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -58.44 -33.67 69.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.43 ' O ' HD23 ' B' ' 77' ' ' LEU . 68.4 mm-40 -73.42 -30.94 63.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.211 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.553 ' O ' HG13 ' B' ' 78' ' ' VAL . 15.8 t80 -69.27 -42.67 75.23 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.878 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 26.9 m -75.22 -27.93 20.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.68 -39.51 31.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 N-CA-C 112.567 0.581 . . . . 0.0 112.567 -178.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.43 HD23 ' O ' ' B' ' 73' ' ' GLU . 2.5 pp -77.88 -35.2 51.12 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.906 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.553 HG13 ' O ' ' B' ' 74' ' ' TYR . 31.6 m -61.59 -43.28 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.664 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.477 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -69.26 -40.81 77.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.32 -30.76 19.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.704 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.49 -33.72 60.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.634 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 78.5 m -68.54 -55.52 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 13.7 p -53.27 -29.72 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.662 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.58 -26.69 67.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.658 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -90.88 -53.4 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -49.03 -38.08 22.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.77 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.469 ' O ' ' O ' ' B' ' 90' ' ' TRP . 20.0 t-20 -54.44 -24.35 19.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.817 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -57.26 -39.63 76.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -64.31 -48.24 76.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.591 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.469 ' O ' ' O ' ' B' ' 87' ' ' ASN . 72.8 m95 -90.99 125.35 35.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.525 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -171.62 -51.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.595 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.486 ' O ' ' O ' ' B' ' 93' ' ' SER . 28.5 t-20 51.01 97.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.61 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.486 ' O ' ' O ' ' B' ' 92' ' ' ASN . 1.9 t . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.621 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -67.46 166.56 14.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.69 0.281 . . . . 0.0 110.599 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -53.59 -36.44 61.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.798 ' C ' HD13 ' A' ' 4' ' ' LEU . 2.8 tm? -60.59 -48.18 82.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.219 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.04 -34.33 77.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.6 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 m -65.43 -34.79 79.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.04 -44.41 82.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.503 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.5 mmm -64.83 -40.89 95.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.529 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -54.19 -33.95 59.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.543 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.6 m -60.63 -45.88 92.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.697 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -54.8 -31.16 58.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.512 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 mm -71.43 -43.25 72.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.673 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -59.83 -55.55 32.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.699 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.9 p -60.3 -35.19 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.498 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -61.02 -51.76 67.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.667 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -72.93 -19.9 61.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.662 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.42 84.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.656 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.64 ' CD2' HD13 ' A' ' 36' ' ' LEU . 55.0 m-70 -93.75 -14.67 25.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.75 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.6 m -63.88 -21.09 66.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.616 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.21 -17.81 77.64 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -57.47 -46.76 83.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.588 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' GLY . 68.3 mm-40 -145.72 -64.95 0.32 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 22' ' ' GLU . . . -36.22 145.39 0.08 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -57.2 -57.24 13.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 0.0 110.575 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -154.47 -71.85 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.638 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.13 -19.07 40.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.242 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -80.03 151.97 29.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.589 HD23 HD12 ' A' ' 33' ' ' LEU . 19.9 tp -150.6 118.85 6.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.445 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.44 151.24 44.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.249 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.58 ' NZ ' HD23 ' A' ' 61' ' ' LEU . 42.3 tptt -69.1 -34.34 74.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.29 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -57.21 -39.99 76.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.609 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -81.69 -37.87 26.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.49 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.589 HD12 HD23 ' A' ' 28' ' ' LEU . 6.0 tt -65.88 -42.63 90.07 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.732 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 16.5 ptmt -52.35 -40.0 61.4 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.684 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 96.4 mt-10 -80.01 -29.11 39.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.948 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.64 HD13 ' CD2' ' A' ' 18' ' ' HIS . 34.9 tp -58.24 -54.29 48.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.872 -178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.0 pp -50.47 -48.2 56.72 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.322 -178.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.666 ' N ' HD12 ' A' ' 37' ' ' LEU . 10.2 pt20 -73.46 -25.83 60.66 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.974 -0.291 . . . . 0.0 110.944 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 95.4 m -70.76 -35.16 72.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.145 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.575 ' C ' HD12 ' A' ' 41' ' ' LEU . 52.6 mm-40 -91.85 -26.89 18.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.244 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.575 HD12 ' C ' ' A' ' 40' ' ' GLU . 10.7 mp -113.25 46.87 1.19 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.544 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.411 ' HA ' HD21 ' A' ' 45' ' ' LEU . 32.3 t -68.33 -27.3 66.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.12 -49.74 9.26 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' C ' ' H ' ' A' ' 46' ' ' ASP . 22.1 m-85 -52.69 -62.78 1.43 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.776 0.322 . . . . 0.0 110.971 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.744 ' C ' HD12 ' A' ' 45' ' ' LEU . 3.8 pp -52.27 -6.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.942 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.631 ' N ' HD12 ' A' ' 45' ' ' LEU . 10.9 t0 -95.16 -39.67 9.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.493 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.16 34.69 2.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.262 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.479 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -98.45 134.27 41.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.644 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -106.74 -12.25 15.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.495 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -92.4 106.08 18.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.617 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 57.3 t -83.57 -26.11 7.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.482 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -75.52 -31.98 60.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.674 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.38 -51.53 43.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.721 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.34 -33.34 63.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.695 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.73 -49.29 78.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -61.45 -36.76 81.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.61 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.451 HG11 HD21 ' A' ' 81' ' ' LEU . 95.2 t -76.86 -30.62 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.759 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.2 ttt -73.71 -51.13 17.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.498 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -62.43 -32.81 73.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.611 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -56.13 -30.89 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.394 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.58 HD23 ' NZ ' ' A' ' 30' ' ' LYS . 37.0 mt -62.46 -39.22 92.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.509 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.09 -28.91 64.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.714 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -74.13 -35.52 64.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.532 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' A' ' 66' ' ' ASP . 1.9 m-80 -94.97 28.21 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.598 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.88 17.58 2.75 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 64' ' ' ASN . 94.8 m-20 -49.8 -43.98 48.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.522 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.7 -16.91 3.51 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -148.76 132.08 16.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.919 0.39 . . . . 0.0 110.613 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.59 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.4 OUTLIER -92.55 -154.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.537 0.684 . . . . 0.0 111.294 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.59 ' H ' HG12 ' A' ' 69' ' ' VAL . 47.3 m-20 -147.14 133.15 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.305 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -48.1 -44.48 31.82 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.454 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.428 ' O ' HG22 ' A' ' 75' ' ' VAL . 99.4 mt-30 -54.83 -37.13 65.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 109.981 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -75.85 -30.72 59.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.544 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.724 ' O ' HG13 ' A' ' 78' ' ' VAL . 61.9 t80 -63.63 -39.08 93.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 72' ' ' GLN . 28.4 m -75.74 -31.11 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.72 -39.44 31.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.47 -33.68 48.16 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.146 -0.622 . . . . 0.0 112.0 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 74' ' ' TYR . 26.9 m -63.31 -43.26 98.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.434 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.495 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -71.62 -36.42 70.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.744 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.21 -32.39 10.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.587 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.451 HD21 HG11 ' A' ' 57' ' ' VAL . 70.5 mt -75.12 -33.35 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.409 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 98.7 m -71.58 -55.2 8.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.61 -25.07 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.536 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.07 32.16 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.568 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.0 t -147.57 -53.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -55.94 -31.59 63.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.492 ' O ' ' O ' ' A' ' 90' ' ' TRP . 41.2 t-20 -44.36 -26.55 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -52.79 -45.59 67.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.455 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -62.86 -46.68 86.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.717 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.492 ' O ' ' O ' ' A' ' 87' ' ' ASN . 82.4 m95 -94.96 113.18 24.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.519 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -61.3 -11.62 10.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.589 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 66.42 90.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.611 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.6 p . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.634 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.1 p -67.57 166.59 14.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -53.62 -36.45 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.642 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.796 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.8 tm? -60.36 -48.3 82.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.98 -34.39 77.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.583 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.8 m -65.34 -34.98 79.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.74 -44.51 81.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 60.6 mmm -64.96 -40.84 95.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.451 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -54.13 -34.03 59.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.9 m -60.71 -45.77 92.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.707 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.53 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.8 mm? -54.65 -31.29 57.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.522 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.6 mm -71.39 -43.16 73.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.777 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -59.92 -55.52 33.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.667 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.0 p -60.31 -35.04 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.511 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -61.08 -51.84 67.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -72.87 -19.91 61.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.707 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.24 84.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.624 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.644 ' CD2' HD13 ' B' ' 36' ' ' LEU . 54.9 m-70 -93.89 -14.74 25.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.679 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 45.3 m -63.8 -21.13 66.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.571 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.26 -17.67 77.62 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -57.58 -46.72 83.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.754 0.311 . . . . 0.0 110.544 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' B' ' 23' ' ' GLY . 68.2 mm-40 -145.69 -65.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.551 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' B' ' 22' ' ' GLU . . . -36.22 145.42 0.08 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -57.33 -57.08 14.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.775 0.322 . . . . 0.0 110.655 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -154.51 -71.83 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.623 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.07 -19.22 40.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.288 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -79.99 151.92 29.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.551 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.585 HD23 HD12 ' B' ' 33' ' ' LEU . 19.9 tp -150.65 118.8 6.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.438 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.43 151.17 44.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.215 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.572 ' NZ ' HD23 ' B' ' 61' ' ' LEU . 42.4 tptt -68.97 -34.44 75.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.275 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -57.14 -40.0 76.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.623 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -81.72 -37.85 26.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.475 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.585 HD12 HD23 ' B' ' 28' ' ' LEU . 6.0 tt -65.84 -42.86 90.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.7 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 16.5 ptmt -52.32 -39.9 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.687 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.42 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 96.4 mt-10 -80.07 -29.0 39.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.644 HD13 ' CD2' ' B' ' 18' ' ' HIS . 35.0 tp -58.3 -54.16 50.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.963 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.66 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.0 pp -50.47 -48.24 56.7 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.341 -178.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.66 ' N ' HD12 ' B' ' 37' ' ' LEU . 10.2 pt20 -73.54 -25.76 60.55 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.96 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 95.8 m -70.86 -35.03 72.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.062 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.577 ' C ' HD12 ' B' ' 41' ' ' LEU . 52.1 mm-40 -92.0 -26.67 18.26 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.3 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.577 HD12 ' C ' ' B' ' 40' ' ' GLU . 10.7 mp -113.29 46.9 1.19 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.809 0.338 . . . . 0.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.418 ' HA ' HD21 ' B' ' 45' ' ' LEU . 32.5 t -68.56 -27.18 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.15 -49.71 9.26 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.52 ' C ' ' H ' ' B' ' 46' ' ' ASP . 22.1 m-85 -52.76 -62.68 1.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.721 0.296 . . . . 0.0 111.025 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.74 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.8 pp -52.37 -6.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.971 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.644 ' N ' HD12 ' B' ' 45' ' ' LEU . 11.1 t0 -95.11 -39.8 9.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.5 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.07 34.7 2.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.359 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.481 ' OE1' ' O ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -98.44 134.38 41.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.654 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -106.75 -12.18 15.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.51 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -92.43 106.0 18.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.559 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -83.32 -26.3 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -75.5 -31.95 60.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.68 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.31 -51.61 42.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.725 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.31 -33.38 63.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.706 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.65 -49.28 78.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.63 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -61.55 -36.69 81.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.435 HG11 HD21 ' B' ' 81' ' ' LEU . 94.4 t -76.89 -30.61 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.1 ttt -73.7 -51.14 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.493 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -62.43 -32.96 73.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -56.09 -30.72 62.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.508 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.572 HD23 ' NZ ' ' B' ' 30' ' ' LYS . 37.9 mt -62.56 -39.25 93.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.438 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.04 -28.92 64.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.655 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -74.18 -35.49 64.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.429 ' C ' ' H ' ' B' ' 66' ' ' ASP . 1.9 m-80 -94.99 28.27 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.521 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.94 17.65 2.76 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' B' ' 64' ' ' ASN . 94.9 m-20 -49.86 -43.84 49.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.507 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 137.52 -16.76 3.55 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -148.8 131.95 16.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 110.64 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.57 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.5 OUTLIER -93.5 -154.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.471 0.653 . . . . 0.0 111.071 -179.706 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.57 ' H ' HG12 ' B' ' 69' ' ' VAL . 47.5 m-20 -147.29 133.11 19.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.362 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -48.02 -44.59 31.04 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.461 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG22 ' B' ' 75' ' ' VAL . 99.4 mt-30 -54.58 -37.32 65.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.954 0.407 . . . . 0.0 109.947 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -75.95 -30.56 58.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.535 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.735 ' O ' HG13 ' B' ' 78' ' ' VAL . 61.8 t80 -63.63 -39.09 93.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.757 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 72' ' ' GLN . 28.6 m -75.81 -31.04 21.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.77 -39.49 31.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 pp -78.54 -33.55 47.8 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.078 -0.649 . . . . 0.0 112.0 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.735 HG13 ' O ' ' B' ' 74' ' ' TYR . 26.9 m -63.4 -43.29 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.388 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.499 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -71.5 -36.7 71.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.693 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.19 -32.26 10.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.555 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.435 HD21 HG11 ' B' ' 57' ' ' VAL . 70.5 mt -75.32 -33.08 61.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.521 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.4 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 99.1 m -71.82 -55.13 8.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.628 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.6 -24.96 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.671 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.14 32.2 0.55 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.537 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.1 t -147.58 -53.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.554 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -55.97 -31.49 63.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.67 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.487 ' O ' ' O ' ' B' ' 90' ' ' TRP . 41.1 t-20 -44.39 -26.65 0.36 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.587 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -52.57 -45.72 66.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.607 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -62.71 -46.88 86.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.615 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.487 ' O ' ' O ' ' B' ' 87' ' ' ASN . 82.1 m95 -94.83 113.09 24.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.615 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -61.27 -11.65 10.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.648 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.403 ' O ' ' OG ' ' B' ' 93' ' ' SER . 31.0 t-20 66.5 90.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' B' ' 92' ' ' ASN . 47.6 p . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.611 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -71.34 155.57 40.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.549 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.44 -38.23 90.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.561 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.787 ' C ' HD13 ' A' ' 4' ' ' LEU . 2.7 tm? -62.61 -47.61 83.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.344 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.76 -32.49 71.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.532 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.3 m -66.87 -37.11 83.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.545 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.45 -43.84 75.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.3 mmm -66.67 -38.13 86.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.415 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -53.97 -36.6 63.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.519 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.4 m -58.32 -45.6 87.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.781 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 11' ' ' LEU . 4.0 mm? -54.36 -31.23 54.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.441 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.5 mm -70.45 -44.1 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -59.99 -55.72 30.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.826 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 15' ' ' PHE . 11.7 p -61.6 -41.19 89.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.547 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.511 ' N ' HG13 ' A' ' 14' ' ' VAL . 74.8 t80 -60.07 -48.29 82.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.67 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -73.41 -19.04 61.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.691 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.8 -42.65 70.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.717 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.676 ' CD2' HD13 ' A' ' 36' ' ' LEU . 78.1 m-70 -84.35 -27.48 27.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.695 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.3 m -65.36 -14.79 61.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.602 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.1 1.82 30.74 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -74.79 -106.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 0.0 110.641 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -82.53 -27.86 31.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.679 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.95 174.77 48.64 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -87.15 -72.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.33 . . . . 0.0 110.544 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -144.19 -48.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.408 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -99.7 -4.59 30.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.352 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -95.17 129.76 42.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.471 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 tp -124.81 114.96 19.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 m -59.42 151.9 22.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.037 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HZ1' ' CD2' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -69.02 -38.87 79.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.574 179.7 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.12 -44.27 83.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 -179.468 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -76.6 -28.24 56.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.82 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.8 tm? -64.51 -54.66 28.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.758 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' N ' HD13 ' A' ' 33' ' ' LEU . 17.1 ptmt -57.27 -38.19 73.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.816 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -78.94 -27.23 43.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.676 HD13 ' CD2' ' A' ' 18' ' ' HIS . 21.5 tp -62.63 -55.4 27.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.902 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -50.75 -49.4 58.02 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.499 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.684 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.3 pt20 -66.34 -25.56 66.87 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.048 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.7 m -76.93 -38.28 53.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.383 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -93.5 -27.02 16.91 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.376 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.63 46.86 1.83 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.807 0.337 . . . . 0.0 110.349 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.24 -28.89 67.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.866 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.64 -53.53 6.49 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.431 ' CE1' HG23 ' A' ' 82' ' ' THR . 19.6 m-85 -45.7 -64.24 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.586 0.232 . . . . 0.0 111.0 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 pp -55.27 -10.05 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 0.0 111.078 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -101.32 -11.37 19.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.761 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.81 -2.93 15.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.948 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.547 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.4 pp0? -99.7 139.44 35.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.696 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -105.17 -12.15 16.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.591 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.547 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 84.9 m-20 -61.36 105.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.588 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.2 t -77.67 -35.68 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.627 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -69.54 -34.68 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.815 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.77 -51.49 61.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.713 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.04 -32.32 53.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.584 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.62 -46.07 91.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.557 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -65.44 -38.33 89.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.526 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.467 HG11 HD21 ' A' ' 81' ' ' LEU . 96.3 t -74.61 -30.44 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.8 ttt -71.52 -51.41 23.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.406 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -64.88 -33.6 76.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.657 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -53.6 -31.06 45.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.554 ' CD2' ' HZ1' ' A' ' 30' ' ' LYS . 21.1 mt -64.42 -35.82 82.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.504 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -73.34 -27.63 61.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.609 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.89 -37.27 75.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.468 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.571 ' C ' ' H ' ' A' ' 66' ' ' ASP . 31.3 m-80 -90.33 24.61 2.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.749 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . -50.0 -5.77 0.07 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.291 -0.723 . . . . 0.0 111.291 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' A' ' 64' ' ' ASN . 57.3 t0 -35.07 -40.15 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.814 0.34 . . . . 0.0 110.641 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.48 -3.25 11.19 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -169.28 133.79 1.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.912 0.387 . . . . 0.0 110.808 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.573 HG11 ' HG ' ' A' ' 33' ' ' LEU . 28.2 m -91.73 -170.09 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.894 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -124.77 151.98 44.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.893 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -48.56 -48.6 38.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.856 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -57.03 -33.83 67.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.698 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.423 ' O ' HD23 ' A' ' 77' ' ' LEU . 77.5 mm-40 -75.6 -30.81 59.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.71 ' O ' HG13 ' A' ' 78' ' ' VAL . 29.9 t80 -68.51 -40.06 81.0 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.108 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.8 m -75.5 -28.86 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.8 -40.34 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 73' ' ' GLU . 2.6 pp -78.34 -35.3 47.75 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.075 -178.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.9 m -59.66 -41.27 84.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.461 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -75.01 -40.47 60.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.715 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.42 -30.57 2.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.467 HD21 HG11 ' A' ' 57' ' ' VAL . 76.8 mt -75.4 -38.64 59.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.656 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.431 HG23 ' CE1' ' A' ' 44' ' ' PHE . 95.7 m -63.86 -54.95 26.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.748 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.455 ' C ' ' H ' ' A' ' 85' ' ' CYS . 7.4 p -52.04 -36.43 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.722 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.29 30.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.455 ' H ' ' C ' ' A' ' 83' ' ' VAL . 47.3 t -149.49 -55.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.61 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 88' ' ' PHE . 89.4 m-20 -52.92 -36.41 59.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.565 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.537 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 0.5 OUTLIER -40.4 -25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 86' ' ' ASN . 46.6 t80 -56.39 -39.76 73.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.684 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -55.66 -48.56 74.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.742 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -86.05 149.27 25.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.574 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -66.98 132.86 48.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.492 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -87.06 111.9 21.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.549 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.557 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.772 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -71.27 155.63 40.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.615 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.47 -38.16 90.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.497 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.794 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.7 tm? -62.68 -47.57 83.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.318 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.79 -32.47 71.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 39.3 m -66.87 -37.08 83.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.606 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.52 -43.84 76.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.547 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 61.0 mmm -66.62 -38.19 86.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.41 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -54.0 -36.54 63.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.516 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.7 m -58.36 -45.57 87.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.737 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.558 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.9 mm? -54.42 -31.27 54.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.41 -43.99 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.734 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -60.09 -55.63 31.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.882 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.5 HG13 ' N ' ' B' ' 15' ' ' PHE . 11.6 p -61.62 -41.06 88.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.68 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.5 ' N ' HG13 ' B' ' 14' ' ' VAL . 75.2 t80 -60.07 -48.36 82.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.688 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -73.27 -19.21 61.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.634 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.81 -42.49 70.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.782 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.672 ' CD2' HD13 ' B' ' 36' ' ' LEU . 78.1 m-70 -84.45 -27.55 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 16.3 m -65.27 -14.67 61.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.645 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.16 1.77 31.54 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -74.78 -106.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.724 0.297 . . . . 0.0 110.675 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -82.57 -27.74 31.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.682 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.88 174.74 48.49 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -87.07 -72.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 110.545 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -144.14 -48.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -99.7 -4.5 30.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.461 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -95.22 129.72 42.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.499 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 tp -124.74 114.92 19.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 5.8 m -59.25 151.77 22.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.063 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.525 ' HZ1' ' CD2' ' B' ' 61' ' ' LEU . 0.1 OUTLIER -69.0 -38.82 79.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.618 179.661 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.482 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.05 -44.39 82.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.954 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -76.3 -28.49 56.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.83 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.763 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.8 tm? -64.35 -54.85 26.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.698 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.452 ' N ' HD13 ' B' ' 33' ' ' LEU . 17.0 ptmt -57.11 -38.2 73.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.85 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -79.17 -26.98 42.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.672 HD13 ' CD2' ' B' ' 18' ' ' HIS . 21.4 tp -62.8 -55.35 27.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.812 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.694 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -50.75 -49.38 58.11 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.517 -178.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.694 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.3 pt20 -66.34 -25.53 66.86 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.05 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 41.7 m -76.94 -38.43 53.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.244 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -93.47 -26.89 16.99 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.379 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.65 46.86 1.83 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.875 0.369 . . . . 0.0 110.462 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.21 -28.78 67.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.77 -53.52 6.39 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.43 ' CE1' HG23 ' B' ' 82' ' ' THR . 19.3 m-85 -45.66 -64.33 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.597 0.237 . . . . 0.0 111.0 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 pp -55.29 -10.0 0.52 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.781 0.324 . . . . 0.0 111.035 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -101.29 -11.41 19.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.808 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.84 -2.88 15.08 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.538 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.4 pp0? -99.79 139.45 35.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 0.0 110.659 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -105.21 -12.16 16.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.488 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.538 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 85.1 m-20 -61.47 105.54 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.522 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 75.7 t -77.76 -35.47 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.696 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -69.65 -34.75 74.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.709 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.67 -51.51 62.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.752 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.95 -32.38 54.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.589 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -60.61 -46.08 91.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.612 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -65.46 -38.28 89.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.538 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.477 HG11 HD21 ' B' ' 81' ' ' LEU . 96.5 t -74.67 -30.3 24.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.573 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.8 ttt -71.67 -51.38 23.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.456 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -64.75 -33.74 76.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -53.56 -30.98 44.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.558 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.525 ' CD2' ' HZ1' ' B' ' 30' ' ' LYS . 21.0 mt -64.54 -35.77 82.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.467 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -73.37 -27.56 61.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.653 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -70.0 -37.2 75.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.555 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.556 ' C ' ' H ' ' B' ' 66' ' ' ASP . 31.1 m-80 -90.29 24.72 2.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.811 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' B' ' 66' ' ' ASP . . . -50.05 -5.86 0.08 OUTLIER Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.556 ' H ' ' C ' ' B' ' 64' ' ' ASN . 57.0 t0 -34.98 -40.12 0.11 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.717 0.294 . . . . 0.0 110.742 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.43 -3.16 11.25 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -169.27 133.98 1.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.567 HG11 ' HG ' ' B' ' 33' ' ' LEU . 27.1 m -92.44 -170.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.666 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -124.51 151.92 44.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.045 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -48.54 -48.66 38.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -56.88 -34.01 67.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.363 . . . . 0.0 110.73 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.417 ' O ' HD23 ' B' ' 77' ' ' LEU . 77.6 mm-40 -75.49 -30.8 59.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.693 ' O ' HG13 ' B' ' 78' ' ' VAL . 30.0 t80 -68.46 -40.09 81.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.137 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -75.52 -28.79 20.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.89 -40.48 31.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.417 HD23 ' O ' ' B' ' 73' ' ' GLU . 2.6 pp -78.36 -35.06 47.92 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 120.191 -0.604 . . . . 0.0 112.104 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.693 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.9 m -59.84 -41.18 84.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.375 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.464 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -75.01 -40.58 60.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.665 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -46.44 -30.44 2.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.741 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.477 HD21 HG11 ' B' ' 57' ' ' VAL . 76.8 mt -75.48 -38.64 59.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.617 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.43 HG23 ' CE1' ' B' ' 44' ' ' PHE . 95.1 m -63.96 -54.75 29.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.455 ' C ' ' H ' ' B' ' 85' ' ' CYS . 7.4 p -52.22 -36.36 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.661 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.31 30.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.455 ' H ' ' C ' ' B' ' 83' ' ' VAL . 47.1 t -149.52 -55.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.666 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' B' ' 88' ' ' PHE . 89.4 m-20 -52.86 -36.56 59.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.604 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' B' ' 87' ' ' ASN . 0.5 OUTLIER -40.44 -25.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.53 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' B' ' 86' ' ' ASN . 46.7 t80 -56.61 -39.7 74.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.612 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -55.56 -48.55 74.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -86.13 149.34 25.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -66.89 132.79 48.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.565 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -86.97 111.77 21.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.587 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.571 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -63.3 146.93 52.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 110.657 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -55.15 -31.76 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.721 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -56.13 -48.45 76.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.405 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -65.42 -34.43 78.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.509 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.0 p -69.37 -34.66 74.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.774 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.93 -38.38 67.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.516 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.6 mmm -76.8 -33.25 58.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.959 0.409 . . . . 0.0 110.398 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -57.07 -37.43 71.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.752 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.0 m -58.84 -40.53 84.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.595 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -61.2 -31.16 70.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.588 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.4 mm -69.92 -41.71 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -61.17 -55.62 30.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.12 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 15' ' ' PHE . 14.8 p -59.86 -37.86 73.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.824 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' N ' HG13 ' A' ' 14' ' ' VAL . 69.1 t80 -60.61 -40.61 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -82.29 -17.69 44.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.7 -35.42 57.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.785 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.637 ' CD2' HD13 ' A' ' 36' ' ' LEU . 57.7 m-70 -92.61 -12.56 31.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.828 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.0 m -76.96 9.04 3.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.81 0.338 . . . . 0.0 110.673 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.39 0.1 53.64 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -63.46 -52.04 63.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.68 0.276 . . . . 0.0 110.733 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -149.49 -44.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.566 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.72 148.7 3.51 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -42.79 -88.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.791 0.329 . . . . 0.0 110.57 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -142.21 -55.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.476 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.7 34.98 1.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.166 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -136.41 148.29 47.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.577 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.0 tp -133.44 125.65 29.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.8 p -75.04 144.49 43.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -66.18 -30.08 70.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.426 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -56.52 -45.15 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.038 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -80.35 -28.21 38.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.35 . . . . 0.0 110.767 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.712 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.9 tm? -53.76 -52.95 58.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.902 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 17.8 ptmt -51.42 -39.17 56.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 70.0 mt-10 -79.19 -27.26 42.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.796 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.637 HD13 ' CD2' ' A' ' 18' ' ' HIS . 22.5 tp -63.34 -55.97 20.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.791 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.722 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.4 pp -51.65 -50.8 59.63 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.537 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.722 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.0 pt20 -65.25 -25.69 67.78 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.191 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.6 m -70.53 -42.37 71.34 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.42 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.75 -27.06 16.71 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.344 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 mp -115.07 40.04 2.75 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.728 0.299 . . . . 0.0 110.325 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.431 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 1.2 p -65.68 -28.59 69.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.921 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.25 -47.37 29.98 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -51.37 -63.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.669 0.271 . . . . 0.0 110.988 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 42' ' ' SER . 3.0 pp -56.96 -27.38 61.16 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.058 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 42' ' ' SER . 91.5 m-20 -72.71 -41.1 65.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.617 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.94 39.43 1.79 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.398 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -99.84 137.38 38.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.646 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -104.79 -13.55 15.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.49 ' OD2' ' O ' ' A' ' 84' ' ' ALA . 21.4 m-20 -91.53 106.05 18.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.52 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.1 t -80.04 -32.15 13.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.575 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 58.3 t0 -70.31 -35.41 73.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.96 -51.47 69.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.63 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.8 -31.92 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.568 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -58.33 -46.22 86.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.71 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.83 -36.78 85.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.534 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.65 -30.26 24.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.503 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.9 ttm -72.63 -51.52 19.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.52 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -64.3 -31.72 73.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.581 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -52.93 -31.84 42.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.42 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.9 mt -59.39 -43.39 92.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.609 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -65.6 -33.84 76.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.39 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -69.59 -35.17 75.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.044 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -101.69 95.63 6.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.575 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -119.66 -5.18 11.27 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' GLY . 43.4 t0 -36.79 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.95 0.405 . . . . 0.0 110.543 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 96.87 -6.34 64.41 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -143.31 132.15 22.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.972 0.415 . . . . 0.0 110.396 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.575 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -92.71 -154.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.309 -179.685 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.575 ' H ' HG12 ' A' ' 69' ' ' VAL . 49.4 t0 -150.14 141.72 23.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.861 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.473 ' CE2' ' HB1' ' B' ' 79' ' ' ALA . 44.9 t80 -48.71 -50.13 34.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.698 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -57.54 -33.65 68.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.655 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' O ' HD23 ' A' ' 77' ' ' LEU . 72.0 mm-40 -75.45 -30.89 60.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.574 ' O ' HG13 ' A' ' 78' ' ' VAL . 15.0 t80 -69.23 -41.97 76.28 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.946 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.17 -28.08 20.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.249 0.462 . . . . 0.0 112.249 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.67 -39.37 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.5 pp -77.63 -34.76 53.16 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.041 -0.664 . . . . 0.0 111.928 -178.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 74' ' ' TYR . 30.3 m -61.69 -42.02 92.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.336 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB1' ' CE2' ' B' ' 71' ' ' PHE . . . -70.11 -38.74 75.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.624 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.52 -31.79 16.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.474 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.6 mt -75.16 -34.24 61.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.6 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 30.7 m -69.88 -55.1 10.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.754 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.52 -30.85 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.696 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.49 ' O ' ' OD2' ' A' ' 50' ' ' ASP . . . -64.05 -39.18 93.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.71 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 73.8 m -83.44 -50.54 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.691 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -51.7 -36.12 45.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.572 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -50.61 -24.75 3.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.723 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -58.55 -45.57 88.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -50.39 -42.56 53.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.56 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -88.64 130.56 35.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.598 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -94.27 128.32 40.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.63 65.87 1.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.5 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.578 179.909 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.771 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -63.26 146.93 52.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.324 . . . . 0.0 110.61 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -55.11 -31.82 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.677 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.639 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.4 OUTLIER -56.19 -48.37 76.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.395 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -65.57 -34.22 77.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.555 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 62.1 p -69.49 -34.68 74.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.779 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.8 -38.44 67.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.617 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.1 mmm -76.69 -33.35 58.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.39 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -57.13 -37.41 71.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.783 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 23.7 m -58.72 -40.57 84.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.787 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.575 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.7 mm? -61.11 -31.23 70.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.621 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.5 mm -69.86 -41.9 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -60.95 -55.75 29.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.078 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.429 HG13 ' N ' ' B' ' 15' ' ' PHE . 14.6 p -59.91 -37.8 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.736 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.429 ' N ' HG13 ' B' ' 14' ' ' VAL . 69.6 t80 -60.67 -40.46 92.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.711 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -82.33 -17.76 44.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.779 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.56 -35.59 58.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.644 ' CD2' HD13 ' B' ' 36' ' ' LEU . 57.6 m-70 -92.56 -12.51 31.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 72.5 m -77.03 9.18 3.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.601 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.39 0.03 53.63 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -63.44 -51.99 63.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.718 0.294 . . . . 0.0 110.701 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -149.61 -44.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.614 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.74 148.64 3.56 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -42.65 -88.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.452 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -142.07 -55.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.509 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.66 35.0 1.41 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.207 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -136.43 148.28 47.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.604 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 26.3 tp -133.39 125.7 29.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.341 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.9 p -75.23 144.52 42.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.906 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -66.13 -30.06 70.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.47 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -56.57 -45.15 81.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.018 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -80.25 -28.37 38.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.697 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.724 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.9 tm? -53.64 -53.02 57.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.959 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 17.8 ptmt -51.36 -39.29 56.79 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.804 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 70.1 mt-10 -79.07 -27.22 43.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.947 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.644 HD13 ' CD2' ' B' ' 18' ' ' HIS . 22.7 tp -63.35 -55.97 20.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.792 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.728 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.4 pp -51.76 -50.62 60.31 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.493 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.728 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.0 pt20 -65.47 -25.5 67.53 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.179 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.1 m -70.73 -42.29 70.75 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.358 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.75 -26.99 16.75 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.318 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 mp -115.05 39.79 2.81 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.705 0.288 . . . . 0.0 110.319 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.444 ' O ' ' CG ' ' B' ' 46' ' ' ASP . 1.2 p -65.36 -28.62 69.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.992 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.27 -47.33 30.04 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -51.61 -63.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.061 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' B' ' 42' ' ' SER . 2.9 pp -57.06 -27.5 61.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.953 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' B' ' 42' ' ' SER . 91.9 m-20 -72.76 -40.97 65.57 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.656 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.93 39.48 1.77 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.445 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' B' ' 50' ' ' ASP . 0.0 OUTLIER -99.95 137.38 38.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.626 -179.733 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -104.84 -13.5 15.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.524 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.486 ' OD2' ' O ' ' B' ' 84' ' ' ALA . 21.2 m-20 -91.63 106.12 18.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.619 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 94.3 t -80.26 -31.99 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.473 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' B' ' 52' ' ' ASP . 58.4 t0 -70.25 -35.41 73.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.69 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -51.52 68.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.646 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.0 p -68.75 -32.07 53.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.601 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -58.23 -46.34 86.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.8 -36.81 85.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.524 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 91.1 t -74.67 -30.24 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.0 ttm -72.62 -51.54 19.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.607 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -64.2 -31.76 73.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.584 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -52.95 -31.71 41.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.445 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 62.6 mt -59.43 -43.44 93.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.571 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -65.7 -33.73 76.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.415 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -69.6 -35.23 75.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.999 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -101.63 95.58 6.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.27 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -119.56 -5.1 11.42 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' B' ' 65' ' ' GLY . 43.4 t0 -36.72 -26.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.4 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 97.08 -7.11 64.34 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -142.18 132.57 25.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.882 0.373 . . . . 0.0 110.471 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.556 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.5 OUTLIER -94.16 -154.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.034 -179.563 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.556 ' H ' HG12 ' B' ' 69' ' ' VAL . 49.3 t0 -150.06 141.78 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.897 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.482 ' CE2' ' HB1' ' A' ' 79' ' ' ALA . 45.0 t80 -48.73 -50.09 35.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.795 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -57.52 -33.65 68.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.746 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.403 ' O ' HD23 ' B' ' 77' ' ' LEU . 72.1 mm-40 -75.34 -31.06 60.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.574 ' O ' HG13 ' B' ' 78' ' ' VAL . 15.0 t80 -69.22 -41.98 76.34 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.859 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.22 -28.11 20.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.63 -39.46 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.427 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.5 pp -77.67 -34.82 52.86 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.892 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.574 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.8 m -61.43 -42.15 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.479 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.473 ' HB1' ' CE2' ' A' ' 71' ' ' PHE . . . -70.02 -38.79 76.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.771 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.57 -31.59 16.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.9 mt -75.36 -34.27 61.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.578 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 31.3 m -69.7 -55.13 10.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.698 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 p -57.72 -30.75 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.643 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.486 ' O ' ' OD2' ' B' ' 50' ' ' ASP . . . -64.03 -39.2 93.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.677 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 73.7 m -83.52 -50.33 8.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.768 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -51.86 -36.0 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.607 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -50.63 -24.91 3.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.726 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -58.5 -45.63 88.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -50.11 -42.59 50.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.752 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -88.66 130.53 35.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.547 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -94.34 128.43 40.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.541 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.58 65.79 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.622 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.52 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.729 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -75.8 157.07 33.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.748 0.308 . . . . 0.0 110.618 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -59.78 -37.94 80.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -60.94 -48.61 81.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.183 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.74 -31.31 70.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.27 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.7 m -69.51 -34.94 75.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.602 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.38 -47.16 76.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.59 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.6 mmm -68.15 -36.18 79.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.5 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -56.14 -33.49 65.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.515 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.7 m -60.99 -42.9 99.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.729 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -59.8 -31.23 69.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.479 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.2 mm -70.0 -44.17 78.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.968 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -60.01 -54.8 41.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 15' ' ' PHE . 11.5 p -62.05 -41.32 90.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.735 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.505 ' N ' HG13 ' A' ' 14' ' ' VAL . 89.4 t80 -57.96 -40.93 81.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.487 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -79.9 -18.3 50.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.601 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.74 -42.65 60.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.64 ' CD2' HD13 ' A' ' 36' ' ' LEU . 65.1 m-70 -84.37 -10.31 57.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.738 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.3 m -76.17 2.78 12.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.588 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.88 -1.47 67.63 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -69.88 -74.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 110.589 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -115.02 -30.74 6.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.494 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.55 152.36 52.32 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -63.53 -52.34 61.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.538 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -169.18 -45.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.644 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.38 28.26 7.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.147 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -136.08 149.32 48.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.458 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 tp -139.16 127.3 22.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.474 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.2 p -74.35 145.17 44.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -66.37 -30.13 70.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.342 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -56.41 -45.18 80.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.801 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -80.63 -28.01 37.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.698 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.702 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.5 tm? -53.54 -55.4 25.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 10.8 ptmm? -51.39 -38.38 53.13 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.824 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 93.6 mt-10 -78.88 -27.06 43.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.64 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.7 tp -65.27 -56.3 13.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.72 -179.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.705 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.66 -50.37 60.49 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.604 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.705 ' N ' HD12 ' A' ' 37' ' ' LEU . 12.4 pt20 -65.66 -25.4 67.33 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.276 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.2 m -72.36 -42.06 65.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.724 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.73 -26.75 16.87 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.286 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.5 46.3 1.64 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.796 0.332 . . . . 0.0 110.303 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.4 ' HA ' HD21 ' A' ' 45' ' ' LEU . 24.6 p -68.66 -35.6 77.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.99 -46.63 80.03 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -50.0 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.741 0.305 . . . . 0.0 110.826 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' A' ' 42' ' ' SER . 2.9 pp -54.62 -24.35 21.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.046 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.11 -45.04 51.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.534 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.58 42.95 1.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.393 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.484 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -104.1 133.56 48.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.696 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -101.31 -23.52 14.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.421 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -77.16 105.73 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -80.61 -31.99 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.643 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -72.05 -33.43 67.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.719 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.76 -51.25 67.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.67 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.86 -32.59 58.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.589 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -59.91 -43.37 94.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.641 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.54 -38.09 89.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.3 t -75.25 -30.64 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.648 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.4 ttt -71.89 -50.89 25.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.5 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -64.58 -31.71 73.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.521 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -54.21 -33.98 59.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.633 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.2 mt -59.42 -39.74 84.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.637 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -70.17 -31.2 68.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.557 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -69.31 -38.47 78.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.286 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -100.99 97.01 7.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.419 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.565 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -119.67 -6.37 10.44 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' GLY . 27.7 t70 -36.56 -26.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.777 0.322 . . . . 0.0 110.53 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 99.44 -6.37 59.26 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -142.96 131.73 22.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.189 0.518 . . . . 0.0 110.399 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.597 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.92 -154.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.33 -179.568 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.597 ' H ' HG12 ' A' ' 69' ' ' VAL . 22.5 t0 -149.6 143.65 25.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.914 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -48.7 -51.67 27.44 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.819 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -57.43 -34.13 68.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.609 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -74.64 -30.44 61.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.691 ' O ' HG22 ' A' ' 78' ' ' VAL . 10.7 t80 -68.46 -43.18 77.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.855 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.9 m -75.07 -27.86 20.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -38.41 39.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 120.468 -0.493 . . . . 0.0 112.288 -178.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -78.3 -42.45 30.74 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.741 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 74' ' ' TYR . 17.9 m -62.11 -32.4 54.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.285 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.06 -37.62 64.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.431 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.77 -24.01 47.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.703 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.6 mt -75.04 -33.23 61.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.62 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.527 HG22 ' OD1' ' A' ' 86' ' ' ASN . 91.1 m -68.13 -53.0 28.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.686 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.85 -23.56 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.699 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.58 24.66 0.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.705 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.0 t -153.41 -43.51 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.527 ' OD1' HG22 ' A' ' 82' ' ' THR . 10.5 m120 -53.5 -31.49 46.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.635 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.479 ' O ' ' O ' ' A' ' 90' ' ' TRP . 19.6 t30 -49.53 -31.91 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -49.07 -44.45 41.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.64 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -63.14 -32.82 74.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.548 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.479 ' O ' ' O ' ' A' ' 87' ' ' ASN . 92.1 m95 -95.31 142.76 27.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.613 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -147.28 115.57 6.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.534 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.696 HD22 ' N ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -67.63 -36.59 81.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.572 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.696 ' N ' HD22 ' A' ' 92' ' ' ASN . 15.2 m . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -75.99 157.0 33.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 110.63 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -59.5 -38.1 80.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.619 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -60.8 -48.76 80.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.119 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.73 -31.29 70.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.301 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 89.9 m -69.46 -34.95 75.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.664 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.19 76.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.541 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 71.7 mmm -68.16 -36.22 79.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.918 0.39 . . . . 0.0 110.375 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -56.08 -33.63 65.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.553 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.6 m -60.75 -43.13 98.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.771 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.598 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.8 mm? -59.55 -31.38 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.499 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 14.3 mm -70.02 -44.2 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -60.04 -54.69 43.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.5 HG13 ' N ' ' B' ' 15' ' ' PHE . 11.7 p -62.12 -41.4 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.724 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.5 ' N ' HG13 ' B' ' 14' ' ' VAL . 89.3 t80 -57.7 -40.95 80.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.658 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -79.91 -18.45 50.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.617 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.86 -42.58 60.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.636 ' CD2' HD13 ' B' ' 36' ' ' LEU . 65.8 m-70 -84.29 -10.33 57.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.785 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.1 m -76.17 2.76 12.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.593 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.92 -1.49 67.51 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -69.94 -74.01 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.705 0.288 . . . . 0.0 110.55 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -115.06 -30.82 6.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.51 152.27 52.27 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -63.43 -52.33 61.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.639 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -169.11 -45.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.568 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.22 28.16 7.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -136.07 149.49 48.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.45 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 tp -139.2 127.37 22.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.426 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.1 p -74.61 145.24 43.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -66.47 -29.89 70.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.299 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -56.74 -45.12 82.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.673 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -80.43 -28.23 37.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.718 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.699 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.5 tm? -53.41 -55.48 24.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.416 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 10.9 ptmm? -51.38 -38.45 53.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.914 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.416 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 93.6 mt-10 -78.82 -26.97 44.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.636 HD13 ' CD2' ' B' ' 18' ' ' HIS . 20.7 tp -65.25 -56.32 13.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.722 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.717 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.73 -50.25 60.94 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.569 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.717 ' N ' HD12 ' B' ' 37' ' ' LEU . 12.4 pt20 -65.75 -25.44 67.28 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.989 -0.284 . . . . 0.0 111.251 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 66.5 m -72.38 -42.09 65.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.656 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -93.65 -26.82 16.89 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.322 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.48 46.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 0.0 110.451 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.403 ' HA ' HD21 ' B' ' 45' ' ' LEU . 24.7 p -68.72 -35.49 77.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.05 -46.6 79.75 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -49.96 -66.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.695 0.283 . . . . 0.0 110.744 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' B' ' 42' ' ' SER . 3.0 pp -54.58 -24.31 20.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.939 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.09 -45.21 50.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -102.46 43.06 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.474 ' OE1' ' O ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -104.18 133.43 49.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.631 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -101.34 -23.29 14.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.494 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -77.24 105.79 8.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.59 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.4 t -80.59 -32.01 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.643 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -72.14 -33.35 67.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.742 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.56 -51.49 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.71 -32.59 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.664 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -59.88 -43.41 94.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.682 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.44 -38.05 89.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.595 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 77.9 t -75.35 -30.64 22.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.588 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 6.4 ttt -71.76 -51.01 24.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.392 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.4 ' HG2' ' HZ2' ' B' ' 59' ' ' LYS . 3.9 pttm -64.62 -31.57 72.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.539 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -54.21 -34.05 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.609 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 63.3 mt -59.51 -39.67 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.62 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -70.1 -31.26 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.561 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -69.41 -38.46 77.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.118 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -101.02 97.07 7.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.42 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -119.78 -6.28 10.39 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' B' ' 65' ' ' GLY . 27.7 t70 -36.66 -26.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 110.503 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 99.56 -7.19 59.48 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -141.62 131.92 25.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.569 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -94.46 -154.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.035 -179.442 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.569 ' H ' HG12 ' B' ' 69' ' ' VAL . 22.7 t0 -149.38 143.81 26.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.918 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -48.63 -51.82 26.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.79 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -57.25 -34.32 68.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.57 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -74.52 -30.53 61.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.709 ' O ' HG22 ' B' ' 78' ' ' VAL . 10.9 t80 -68.35 -43.28 77.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.931 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 31.0 m -75.01 -27.76 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -38.21 37.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 120.427 -0.509 . . . . 0.0 112.261 -178.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.58 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.5 pp -78.41 -42.4 30.25 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.622 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.709 HG22 ' O ' ' B' ' 74' ' ' TYR . 17.7 m -62.16 -32.39 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.09 -37.5 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.482 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.9 -23.93 48.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.691 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.12 -33.23 61.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.545 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.507 HG22 ' OD1' ' B' ' 86' ' ' ASN . 89.6 m -68.01 -53.0 29.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.763 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 10.9 p -61.94 -23.54 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.604 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.48 24.52 0.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.646 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 48.8 t -153.31 -43.43 0.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.587 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.507 ' OD1' HG22 ' B' ' 82' ' ' THR . 10.5 m120 -53.57 -31.51 46.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.562 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.466 ' O ' ' O ' ' B' ' 90' ' ' TRP . 19.5 t30 -49.5 -31.82 10.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.595 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -49.27 -44.39 43.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -63.07 -32.82 74.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.466 ' O ' ' O ' ' B' ' 87' ' ' ASN . 92.2 m95 -95.39 142.74 27.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.598 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -147.22 115.5 6.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.568 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.694 HD22 ' N ' ' B' ' 93' ' ' SER . 0.5 OUTLIER -67.59 -36.6 81.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.534 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.694 ' N ' HD22 ' B' ' 92' ' ' ASN . 15.2 m . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.578 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.75 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -68.91 156.55 38.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -52.32 -29.3 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.602 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -66.69 -48.72 68.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.559 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -65.09 -32.87 74.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.67 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.7 p -69.4 -34.5 74.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.79 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.85 -41.95 71.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.544 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.8 mmm -70.71 -34.55 72.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.374 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -56.7 -35.33 68.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.571 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.5 m -60.21 -42.48 95.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.6 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -59.03 -31.4 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.634 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.5 mm -70.33 -40.41 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.769 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -60.04 -55.68 30.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.9 p -61.46 -39.22 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.737 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.448 ' N ' HG13 ' A' ' 14' ' ' VAL . 72.2 t80 -59.5 -42.81 93.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.572 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -80.37 -17.72 51.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.671 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.42 -42.13 54.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.964 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.528 ' CD2' HD13 ' A' ' 36' ' ' LEU . 40.9 m-70 -86.74 -9.74 55.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.87 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -77.73 4.06 12.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.867 0.365 . . . . 0.0 110.528 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.79 -8.7 59.15 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -64.7 -72.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.797 0.332 . . . . 0.0 110.388 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -117.41 -13.6 10.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.37 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.18 153.63 34.14 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -86.75 -32.19 20.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.801 0.334 . . . . 0.0 110.574 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -169.66 -91.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.539 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.28 28.04 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 25' ' ' LYS . 45.2 mtmt -121.87 142.04 50.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.624 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 tp -139.46 123.44 17.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.308 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -75.16 143.44 43.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.043 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -68.79 -29.69 68.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.456 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -56.69 -44.86 81.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.888 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.45 -28.17 37.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.663 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.674 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.4 tm? -53.46 -52.58 59.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.894 -179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -51.25 -36.96 44.48 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.768 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' A' ' 39' ' ' THR . 95.7 mt-10 -79.2 -27.35 42.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.823 0.344 . . . . 0.0 110.836 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.528 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.9 tp -66.69 -56.23 11.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.805 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.58 -49.12 62.71 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.274 -178.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.681 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.8 pt20 -67.7 -25.57 65.74 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.928 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 42.1 m -72.84 -39.61 66.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.167 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -92.99 -26.75 17.4 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.234 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.58 45.73 2.07 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.682 0.277 . . . . 0.0 110.481 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -68.32 -31.03 70.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.66 -53.0 7.67 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -44.82 -66.96 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.011 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 pp -54.37 -12.84 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.922 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -99.64 -17.06 17.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.787 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.17 -2.93 30.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.773 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.582 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 5.1 pp0? -105.36 146.83 28.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.643 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -115.69 9.82 15.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.404 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.582 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 94.6 m-20 -79.25 106.04 11.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.657 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.3 t -76.02 -38.83 36.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.692 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -69.03 -38.81 79.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.97 -51.51 66.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.676 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 50' ' ' ASP . 9.4 p -68.95 -34.41 64.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.32 -46.91 72.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.621 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -60.63 -38.18 83.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.641 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.89 -30.49 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.626 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.56 -51.2 24.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.433 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -63.99 -31.55 72.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.584 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -54.15 -31.96 53.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.7 mt -61.7 -39.78 92.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.554 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -74.22 -27.64 60.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.753 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -73.15 -41.18 64.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.505 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -100.93 32.86 3.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.591 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.45 16.32 7.98 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -48.55 -45.09 37.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.85 0.357 . . . . 0.0 110.532 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.3 -15.87 3.43 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -142.71 132.63 24.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.05 0.452 . . . . 0.0 110.446 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.594 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -92.62 -154.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.413 -179.501 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.594 ' H ' HG12 ' A' ' 69' ' ' VAL . 12.7 m-20 -150.16 141.26 23.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.819 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.463 ' CE2' ' HB1' ' B' ' 79' ' ' ALA . 37.4 t80 -48.52 -49.74 34.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.789 0.328 . . . . 0.0 110.681 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.06 -33.42 72.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.633 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' O ' HD23 ' A' ' 77' ' ' LEU . 17.2 mm-40 -74.29 -30.85 62.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.055 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.551 ' O ' HG13 ' A' ' 78' ' ' VAL . 15.4 t80 -70.67 -42.47 70.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.848 0.356 . . . . 0.0 110.958 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 m -74.94 -27.77 20.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.53 -40.4 33.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -76.89 -35.02 57.69 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.971 -178.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 74' ' ' TYR . 30.1 m -62.06 -41.53 91.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.352 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB1' ' CE2' ' B' ' 71' ' ' PHE . . . -67.98 -39.82 83.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.45 -32.78 12.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.597 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.1 mt -75.43 -29.84 59.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.597 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.7 m -69.54 -55.14 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.992 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.29 -26.97 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.821 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.81 -22.52 66.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.808 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 25.9 t -93.81 -56.09 3.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.771 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -47.13 -33.99 5.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.776 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.475 ' O ' ' O ' ' A' ' 90' ' ' TRP . 7.9 t30 -52.69 -28.16 20.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.634 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -51.47 -48.15 62.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.659 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -58.28 -36.16 72.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.475 ' O ' ' O ' ' A' ' 87' ' ' ASN . 65.0 m95 -95.42 162.0 13.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -128.28 148.63 50.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.469 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.4 ' O ' ' OXT' ' A' ' 93' ' ' SER . 44.7 t30 -146.36 -6.91 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.637 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.4 ' OXT' ' O ' ' A' ' 92' ' ' ASN . 4.8 t . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.523 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.596 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -68.95 156.62 38.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.602 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -52.37 -29.29 23.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.639 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.4 OUTLIER -66.83 -48.72 68.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.493 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.95 -32.9 74.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.683 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 77.5 p -69.37 -34.61 74.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.817 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.83 -41.92 71.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.649 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 58.7 mmm -70.58 -34.66 72.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.488 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -56.55 -35.4 68.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.575 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 23.6 m -60.27 -42.38 95.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.6 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.9 mm? -58.96 -31.51 68.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.615 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.36 -40.27 77.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.808 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -60.1 -55.53 32.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.941 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.438 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.7 p -61.6 -39.22 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.685 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.438 ' N ' HG13 ' B' ' 14' ' ' VAL . 72.0 t80 -59.49 -42.83 93.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.548 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -80.47 -17.58 51.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.768 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.47 -42.08 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.528 ' CD2' HD13 ' B' ' 36' ' ' LEU . 41.4 m-70 -86.68 -9.83 55.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.956 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.6 m -77.66 4.11 12.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.503 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.98 -8.51 59.04 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -64.71 -72.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.856 0.36 . . . . 0.0 110.4 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -117.25 -13.75 10.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.02 153.67 34.46 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -86.71 -32.3 20.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.831 0.348 . . . . 0.0 110.54 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.407 ' C ' ' H ' ' B' ' 27' ' ' LYS . 0.2 OUTLIER -169.6 -91.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.35 28.08 0.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.299 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' B' ' 25' ' ' LYS . 45.2 mtmt -121.89 141.97 50.73 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.632 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.0 tp -139.42 123.53 17.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.301 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -75.22 143.4 43.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.256 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -68.74 -29.78 68.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.444 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -56.62 -44.91 81.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.914 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.29 -28.34 38.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.906 0.384 . . . . 0.0 110.657 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.666 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.5 tm? -53.5 -52.54 59.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.792 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -51.27 -36.92 44.47 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.763 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -79.27 -27.29 42.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.822 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.528 HD13 ' CD2' ' B' ' 18' ' ' HIS . 20.9 tp -66.57 -56.3 11.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.84 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.692 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.54 -49.06 62.74 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.373 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.692 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.9 pt20 -67.61 -25.63 65.85 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.861 -0.335 . . . . 0.0 111.006 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 43.0 m -72.82 -39.65 66.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.217 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -93.02 -26.57 17.45 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.214 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.77 45.8 2.07 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.439 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -68.38 -30.91 69.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.001 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.79 -52.88 7.69 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -44.89 -67.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.627 0.251 . . . . 0.0 110.89 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 pp -54.28 -12.82 0.72 Allowed 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.823 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -99.69 -17.11 17.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.728 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.13 -2.96 30.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.712 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.578 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 5.1 pp0? -105.41 146.83 28.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.627 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -115.59 9.79 15.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.478 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.578 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 94.5 m-20 -79.24 106.0 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.639 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -76.08 -38.64 35.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -69.01 -38.92 79.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.9 -51.44 66.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.799 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.436 HG12 ' O ' ' B' ' 50' ' ' ASP . 9.3 p -69.08 -34.23 62.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.664 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.49 -46.76 73.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.609 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -60.83 -38.11 84.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.627 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 60.5 t -76.78 -30.56 18.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.634 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 13.7 ttt -71.53 -51.4 23.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -63.93 -31.56 72.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -54.04 -31.98 53.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.56 -39.83 92.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.648 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -74.2 -27.68 60.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.771 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -73.12 -41.09 64.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.468 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -101.02 32.72 3.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.481 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.5 16.48 7.8 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -48.71 -44.91 38.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 110.512 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 138.44 -16.86 3.35 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -141.16 133.22 27.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 0.0 110.526 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.58 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -94.14 -154.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.199 -179.54 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.58 ' H ' HG12 ' B' ' 69' ' ' VAL . 12.8 m-20 -150.06 141.43 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.028 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.468 ' CE2' ' HB1' ' A' ' 79' ' ' ALA . 37.0 t80 -48.6 -49.65 35.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.352 . . . . 0.0 110.766 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.13 -33.4 72.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.432 ' O ' HD23 ' B' ' 77' ' ' LEU . 17.1 mm-40 -74.18 -30.93 62.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.548 ' O ' HG13 ' B' ' 78' ' ' VAL . 15.5 t80 -70.73 -42.23 70.82 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.966 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.8 m -75.03 -27.93 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.44 -40.33 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.432 HD23 ' O ' ' B' ' 73' ' ' GLU . 2.6 pp -76.99 -34.97 57.49 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.089 -0.644 . . . . 0.0 111.883 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.548 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.4 m -62.03 -41.69 92.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.348 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.467 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -67.89 -39.88 83.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.838 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.5 -32.68 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.635 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 84.2 mt -75.36 -29.94 60.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.562 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.9 m -69.57 -55.22 10.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.887 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 5.0 p -60.06 -27.1 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.929 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.85 -22.49 65.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.792 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.5 t -93.73 -56.17 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.756 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -47.27 -33.88 6.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.475 ' O ' ' O ' ' B' ' 90' ' ' TRP . 7.8 t30 -52.66 -28.14 20.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.787 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -51.56 -48.07 63.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.634 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -58.24 -36.26 72.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.622 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.475 ' O ' ' O ' ' B' ' 87' ' ' ASN . 65.4 m95 -95.39 162.06 13.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.581 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -128.4 148.51 50.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.434 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.401 ' O ' ' OXT' ' B' ' 93' ' ' SER . 44.8 t30 -146.31 -6.98 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.637 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.401 ' OXT' ' O ' ' B' ' 92' ' ' ASN . 4.8 t . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.523 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.752 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -61.64 155.43 22.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.582 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -60.72 -40.36 92.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.631 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.798 ' C ' HD13 ' A' ' 4' ' ' LEU . 2.7 tm? -65.78 -48.39 71.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.213 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.92 -33.54 73.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.489 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.3 m -68.88 -35.12 76.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.57 77.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.528 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 56.5 mmm -64.8 -38.77 92.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.495 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 7.6 tt0 -55.02 -35.52 64.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.695 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.5 m -59.79 -44.59 93.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.753 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.577 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -55.92 -31.6 63.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.447 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -70.57 -40.05 76.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.69 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 8.7 m-80 -63.91 -55.68 20.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.746 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.0 p -62.33 -39.68 85.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.475 ' N ' HG13 ' A' ' 14' ' ' VAL . 92.8 t80 -60.52 -45.16 94.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.569 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -80.08 -19.18 48.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.783 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.59 -37.45 79.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.625 ' CD2' HD13 ' A' ' 36' ' ' LEU . 66.1 m-70 -91.72 -17.53 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.717 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 47.1 m -63.96 -24.84 67.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.81 -8.02 32.08 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -68.77 -106.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.452 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -87.0 -33.68 19.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.541 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.88 150.41 51.52 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.53 -62.8 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 110.573 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -145.34 -76.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.66 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -83.66 -5.08 59.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.227 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -92.81 147.48 22.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.373 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 tp -146.42 114.92 6.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.92 0.39 . . . . 0.0 110.588 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.51 150.02 23.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.792 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.61 ' HZ2' HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -68.85 -30.25 68.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.976 0.417 . . . . 0.0 110.41 179.333 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.77 -43.21 80.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.513 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -80.15 -28.34 38.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.307 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.66 HD13 ' C ' ' A' ' 33' ' ' LEU . 1.9 tm? -62.17 -56.14 21.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.569 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -52.11 -38.86 58.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.916 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' O ' ' OG1' ' A' ' 39' ' ' THR . 30.7 mt-10 -78.92 -27.21 43.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.625 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.8 tp -66.21 -56.28 12.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.639 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.704 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -52.47 -50.03 63.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.513 -178.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.704 ' N ' HD12 ' A' ' 37' ' ' LEU . 13.5 pt20 -66.04 -25.55 67.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.032 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 55.1 m -73.85 -38.31 64.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.082 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.447 ' HB3' HD12 ' B' ' 4' ' ' LEU . 69.3 mm-40 -93.45 -26.88 17.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.288 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.12 45.08 2.06 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.736 0.303 . . . . 0.0 110.41 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -68.25 -27.59 66.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.19 -52.31 4.93 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.414 ' C ' ' H ' ' A' ' 46' ' ' ASP . 12.6 m-85 -45.89 -64.58 0.71 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.574 0.226 . . . . 0.0 110.917 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.83 -9.53 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.048 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 44' ' ' PHE . 16.4 t70 -105.69 -16.18 14.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.701 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.25 -2.94 21.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.768 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.51 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.9 pp0? -99.53 134.48 42.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.768 0.318 . . . . 0.0 110.735 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -98.42 -3.34 37.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.475 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.51 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 83.3 m-20 -71.63 104.3 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.66 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.0 t -80.41 -28.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.423 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -72.78 -39.48 66.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.727 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.12 -51.38 69.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.606 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.11 -31.86 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.716 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -62.42 -40.77 97.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.698 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -72.38 -37.38 68.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.081 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.7 t -77.28 -48.15 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.209 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.657 ' SD ' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -60.24 -44.09 95.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.935 -179.271 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.657 ' N ' ' SD ' ' A' ' 58' ' ' MET . 23.5 pttt -68.74 -33.29 73.67 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.513 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -52.85 -28.62 23.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.402 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 66.3 mt -67.72 -38.63 83.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.628 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.65 -31.93 70.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -80.06 -37.4 33.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.58 ' C ' ' H ' ' A' ' 66' ' ' ASP . 1.4 m120 -87.49 24.19 1.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.674 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . -58.74 4.54 0.09 OUTLIER Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' A' ' 64' ' ' ASN . 50.4 m-20 -34.9 -35.33 0.04 OUTLIER 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.881 0.372 . . . . 0.0 110.519 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 121.15 -4.57 11.28 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -173.6 135.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.158 0.504 . . . . 0.0 111.437 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.61 HG13 ' HZ2' ' A' ' 30' ' ' LYS . 10.7 m -91.51 -172.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.565 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -126.61 154.34 44.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -49.11 -53.2 21.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.622 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -56.18 -33.55 65.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -76.16 -30.81 58.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.652 ' O ' HG13 ' A' ' 78' ' ' VAL . 26.7 t80 -69.02 -40.52 78.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.5 m -75.07 -28.67 21.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.076 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.71 -39.68 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.7 pp -78.24 -35.13 48.7 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.079 -0.648 . . . . 0.0 111.895 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.5 m -61.2 -41.95 91.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.197 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -70.58 -37.36 73.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.494 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.8 -31.27 26.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.44 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.0 mt -75.62 -36.74 60.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.546 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.1 m -66.0 -55.13 18.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.715 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' A' ' 85' ' ' CYS . 12.1 p -54.39 -34.85 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.653 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.12 23.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.549 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.451 ' H ' ' C ' ' A' ' 83' ' ' VAL . 21.8 t -137.03 -65.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.488 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -53.79 -28.47 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.546 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -45.48 -28.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -51.54 -36.42 44.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.497 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -60.23 -43.19 96.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -85.89 133.95 33.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.544 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -142.88 -160.3 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.596 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 57.76 42.97 22.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.658 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.548 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.729 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -61.51 155.49 21.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 110.628 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -60.78 -40.42 92.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.665 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.798 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.7 tm? -65.77 -48.31 72.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.188 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.97 -33.61 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.469 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 33.0 m -68.74 -35.25 76.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.562 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.44 -46.52 76.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.662 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 56.4 mmm -64.89 -38.66 91.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.523 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 7.6 tt0 -55.06 -35.6 64.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.596 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 38.2 m -59.77 -44.6 93.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.786 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.562 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.9 mm? -55.92 -31.55 62.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.49 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mm -70.58 -40.01 76.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.684 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 8.8 m-80 -64.01 -55.63 20.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.783 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.466 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.3 p -62.26 -39.77 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.75 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.466 ' N ' HG13 ' B' ' 14' ' ' VAL . 92.8 t80 -60.47 -45.09 95.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.658 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -80.05 -19.25 48.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.717 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.55 -37.47 79.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.727 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.615 ' CD2' HD13 ' B' ' 36' ' ' LEU . 66.0 m-70 -91.62 -17.61 25.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.705 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.6 m -63.97 -24.77 67.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.594 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.86 -8.11 32.84 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -68.63 -106.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 110.484 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -86.9 -33.77 19.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.483 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.92 150.49 51.57 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -70.6 -62.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.718 0.294 . . . . 0.0 110.562 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -145.31 -76.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.746 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -83.87 -4.98 59.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.372 . . . . 0.0 110.239 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -92.9 147.51 22.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.281 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 tp -146.39 114.97 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.638 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.59 150.06 24.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.603 ' HZ2' HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -69.11 -30.13 68.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.157 179.559 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.488 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.86 -43.15 80.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.464 -179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -80.12 -28.29 38.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.986 0.422 . . . . 0.0 110.31 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.658 ' C ' HD13 ' B' ' 33' ' ' LEU . 1.9 tm? -62.37 -55.97 22.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.554 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -52.27 -38.86 59.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.799 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -78.81 -27.4 44.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.794 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.615 HD13 ' CD2' ' B' ' 18' ' ' HIS . 20.5 tp -66.29 -56.04 13.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.691 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.712 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -52.48 -50.2 63.19 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.403 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.712 ' N ' HD12 ' B' ' 37' ' ' LEU . 13.6 pt20 -65.88 -25.64 67.27 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.084 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 55.2 m -73.83 -38.42 64.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.016 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.433 ' HB3' HD12 ' A' ' 4' ' ' LEU . 69.4 mm-40 -93.52 -26.58 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.299 -179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.28 44.98 2.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.865 0.364 . . . . 0.0 110.51 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.6 t -68.28 -27.5 66.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.999 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.19 -52.34 4.91 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.43 ' C ' ' H ' ' B' ' 46' ' ' ASP . 12.6 m-85 -45.9 -64.55 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.65 0.262 . . . . 0.0 110.944 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 pp -53.89 -9.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.049 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' B' ' 44' ' ' PHE . 16.4 t70 -105.84 -16.18 14.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.675 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.29 -2.88 21.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.512 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.9 pp0? -99.63 134.38 42.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.745 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmtm -98.36 -3.2 37.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.473 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.512 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 83.8 m-20 -71.81 104.35 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.581 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 57.1 t -80.45 -27.94 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.57 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -72.81 -39.27 66.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.21 -51.41 69.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.584 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.0 p -66.11 -31.85 55.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.788 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -62.3 -40.85 97.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.722 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -72.53 -37.11 68.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.061 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 91.3 t -77.55 -47.97 25.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.173 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.659 ' SD ' ' N ' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -60.15 -44.2 95.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.004 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.659 ' N ' ' SD ' ' B' ' 58' ' ' MET . 23.6 pttt -68.78 -33.29 73.62 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.493 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -52.86 -28.46 23.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.365 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 65.8 mt -67.94 -38.45 82.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -69.71 -32.14 70.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.698 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -80.05 -37.4 34.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.525 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.553 ' C ' ' H ' ' B' ' 66' ' ' ASP . 1.4 m120 -87.45 24.17 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.778 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -58.73 4.62 0.09 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.553 ' H ' ' C ' ' B' ' 64' ' ' ASN . 50.6 m-20 -34.91 -35.4 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.892 0.377 . . . . 0.0 110.511 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 121.18 -4.45 11.27 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -173.55 136.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 0.0 111.418 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.603 HG13 ' HZ2' ' B' ' 30' ' ' LYS . 10.4 m -92.17 -172.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.52 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -126.53 154.41 43.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.197 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -49.16 -53.1 22.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.963 0.411 . . . . 0.0 110.646 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -56.29 -33.57 65.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.486 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -76.13 -30.79 58.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.641 ' O ' HG13 ' B' ' 78' ' ' VAL . 27.1 t80 -68.99 -40.55 78.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 31.7 m -75.16 -28.54 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.097 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.82 -39.74 31.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.418 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.7 pp -78.06 -35.24 49.79 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.046 -0.662 . . . . 0.0 111.945 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.641 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.5 m -61.13 -41.91 91.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.281 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.474 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -70.59 -37.36 73.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.519 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.72 -31.27 25.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.515 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 85.4 mt -75.53 -36.91 60.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.559 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.4 m -65.77 -55.28 18.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.76 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' B' ' 85' ' ' CYS . 12.4 p -54.29 -34.94 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.12 23.69 0.18 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.451 ' H ' ' C ' ' B' ' 83' ' ' VAL . 22.4 t -137.11 -65.29 0.54 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.529 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -53.72 -28.46 34.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.603 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -45.48 -28.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.578 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -51.69 -36.43 46.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -60.14 -43.05 96.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 70.6 m95 -86.13 133.91 33.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.527 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -142.84 -160.29 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.457 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 57.79 42.88 22.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.556 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.718 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -87.35 159.7 18.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.671 0.272 . . . . 0.0 110.628 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -64.19 -29.21 70.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.625 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -64.35 -48.84 74.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.347 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.62 -31.33 69.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.386 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.1 m -68.96 -35.74 77.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.665 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.21 73.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.527 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.2 mmm -68.07 -40.47 82.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.509 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.89 -34.78 60.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.642 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.6 m -59.18 -43.09 92.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.704 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.602 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -61.53 -31.51 71.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.7 mm -69.67 -39.82 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.807 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -60.08 -55.38 34.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.706 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.3 p -63.08 -41.57 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.812 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.487 ' N ' HG13 ' A' ' 14' ' ' VAL . 83.4 t80 -55.79 -41.74 74.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.569 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -82.16 -22.18 36.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.566 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.04 -35.73 78.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.729 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.675 ' CD2' HD13 ' A' ' 36' ' ' LEU . 57.6 m-70 -91.98 -7.37 49.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.576 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -76.92 -4.1 42.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.485 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.33 -9.79 66.66 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -68.2 -70.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.734 0.302 . . . . 0.0 110.51 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -115.95 -15.61 11.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.459 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.69 -153.85 19.77 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -138.21 -63.06 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.511 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.515 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 13.0 ptmt -154.8 33.63 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.615 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER 171.53 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.099 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 8.9 mtmp? -63.98 147.16 52.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.495 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.402 HD12 ' H ' ' A' ' 29' ' ' SER . 31.0 tp -147.08 129.84 16.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.502 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.402 ' H ' HD12 ' A' ' 28' ' ' LEU . 17.6 m -74.26 148.9 41.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.051 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -69.04 -39.32 79.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.582 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.47 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.83 -38.8 73.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.623 -179.582 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -80.17 -43.35 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.908 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.821 HD23 ' O ' ' A' ' 33' ' ' LEU . 2.9 tt -62.28 -33.51 74.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.772 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -51.89 -45.41 64.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.399 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' O ' ' OG1' ' A' ' 39' ' ' THR . 50.1 mt-10 -79.3 -27.39 42.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.378 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.675 HD13 ' CD2' ' A' ' 18' ' ' HIS . 47.3 tp -58.06 -55.64 32.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.937 -178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 38' ' ' GLN . 2.9 pp -50.59 -47.79 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.433 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.659 ' N ' HD12 ' A' ' 37' ' ' LEU . 17.2 pt20 -75.46 -25.68 57.63 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.189 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 44.4 m -64.82 -46.94 79.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.283 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -84.53 -26.9 27.73 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.428 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 41' ' ' LEU . 6.2 mp -116.23 43.95 2.07 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.792 0.33 . . . . 0.0 110.577 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.2 p -68.46 -27.23 65.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.22 -50.71 9.74 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.424 ' C ' ' H ' ' A' ' 46' ' ' ASP . 13.2 m-85 -46.35 -65.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.631 0.253 . . . . 0.0 110.874 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.21 -8.51 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.78 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 44' ' ' PHE . 21.9 t0 -105.65 -14.36 15.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.67 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.31 -2.99 21.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.735 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.474 ' OE1' ' O ' ' A' ' 50' ' ' ASP . 5.3 pp0? -102.85 138.73 39.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.893 0.378 . . . . 0.0 110.658 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -95.84 -4.14 44.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.598 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.474 ' O ' ' OE1' ' A' ' 48' ' ' GLN . 72.3 m-20 -75.46 92.71 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.585 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.435 ' O ' ' CG ' ' A' ' 55' ' ' ASP . 76.0 t -73.79 -32.59 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.662 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -72.56 -36.41 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.75 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.26 -50.09 64.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.7 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.11 -34.73 65.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.404 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 51' ' ' VAL . 56.1 m-20 -57.02 -42.87 81.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.488 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -64.81 -39.29 93.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.539 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.439 HG11 HD21 ' A' ' 81' ' ' LEU . 78.4 t -73.82 -30.67 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.59 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.4 ttt -72.61 -51.49 19.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.386 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.0 -31.5 72.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.495 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -53.31 -28.64 29.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.258 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.73 -36.95 76.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -68.5 -28.52 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -75.47 -40.79 56.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.53 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -89.3 49.36 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.711 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . -83.31 8.02 65.85 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' GLY . 9.9 t70 -36.49 -35.03 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.887 0.375 . . . . 0.0 110.477 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 120.25 -14.56 10.19 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -151.12 132.36 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.975 0.417 . . . . 0.0 110.556 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.584 HG21 HD13 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -92.52 -154.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.051 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.446 ' H ' HG12 ' A' ' 69' ' ' VAL . 59.1 t0 -147.28 138.27 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.933 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -48.52 -49.27 36.79 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.596 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -52.68 -35.97 56.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 110.407 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -75.84 -30.69 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.593 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.679 ' O ' HG13 ' A' ' 78' ' ' VAL . 21.1 t80 -64.9 -40.76 95.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.889 0.376 . . . . 0.0 110.794 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.61 -30.09 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.71 -39.1 31.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.7 pp -78.17 -34.99 49.3 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.856 -178.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.8 m -61.2 -41.69 90.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.474 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.458 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -72.17 -39.11 68.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.74 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.14 -28.98 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.439 HD21 HG11 ' A' ' 57' ' ' VAL . 79.2 mt -75.25 -33.73 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.5 m -69.56 -55.62 9.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.758 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 p -57.93 -26.17 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.579 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.58 7.35 5.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.656 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t -127.38 -53.63 1.37 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.516 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -52.05 -30.95 27.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.584 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.475 ' O ' ' O ' ' A' ' 90' ' ' TRP . 53.3 t30 -55.35 -11.65 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.634 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -68.63 -54.58 15.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.775 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -46.56 -43.72 17.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.647 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.475 ' O ' ' O ' ' A' ' 87' ' ' ASN . 58.1 m95 -95.95 140.53 30.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -145.1 115.49 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.665 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -79.21 171.34 15.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.505 179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p -87.3 159.78 18.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.654 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -64.29 -29.28 70.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.494 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.575 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -64.39 -48.72 74.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.417 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -69.74 -31.07 68.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.484 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 57.9 m -69.08 -35.72 76.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.638 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.35 -42.18 73.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 69.7 mmm -68.07 -40.56 82.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.575 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.71 -34.93 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.651 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 17.4 m -59.07 -43.1 91.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.761 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.613 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.7 mm? -61.57 -31.5 71.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.435 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.0 mm -69.69 -39.88 78.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.709 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -60.01 -55.4 34.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.482 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.3 p -63.11 -41.63 93.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.482 ' N ' HG13 ' B' ' 14' ' ' VAL . 83.5 t80 -55.71 -41.85 74.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -81.99 -22.25 36.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.62 78.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.766 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.675 ' CD2' HD13 ' B' ' 36' ' ' LEU . 58.2 m-70 -91.99 -7.35 49.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.696 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 70.9 m -76.91 -4.12 42.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.45 -9.66 66.59 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -68.2 -70.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.32 . . . . 0.0 110.462 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -115.87 -15.67 11.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.69 -153.89 19.85 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -138.18 -63.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 0.0 110.555 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.508 ' O ' ' CD2' ' B' ' 26' ' ' TYR . 12.9 ptmt -154.91 33.45 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.683 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' B' ' 25' ' ' LYS . 0.5 OUTLIER 171.64 -48.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.237 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.421 ' CB ' ' NZ ' ' B' ' 27' ' ' LYS . 8.9 mtmp? -64.01 147.08 52.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.47 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 31.7 tp -146.97 129.66 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.625 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 17.8 m -74.21 148.92 41.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.093 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -69.12 -39.23 79.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.563 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.476 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.98 -38.63 73.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.595 -179.571 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -80.27 -43.33 21.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.806 HD23 ' O ' ' B' ' 33' ' ' LEU . 2.9 tt -62.22 -33.71 75.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.892 0.377 . . . . 0.0 110.785 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -51.79 -45.46 63.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.404 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.4 ' O ' ' OG1' ' B' ' 39' ' ' THR . 50.1 mt-10 -79.35 -27.24 42.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.326 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.675 HD13 ' CD2' ' B' ' 18' ' ' HIS . 47.3 tp -58.1 -55.91 28.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.781 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.655 HD12 ' N ' ' B' ' 38' ' ' GLN . 2.9 pp -50.47 -47.82 56.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.403 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.655 ' N ' HD12 ' B' ' 37' ' ' LEU . 17.2 pt20 -75.45 -25.64 57.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.782 0.325 . . . . 0.0 111.177 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 44.7 m -64.92 -46.86 79.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.25 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -84.73 -26.85 27.37 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.348 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.32 44.11 2.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.868 0.366 . . . . 0.0 110.648 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.3 p -68.59 -27.31 65.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.619 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.23 -50.63 9.89 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.437 ' C ' ' H ' ' B' ' 46' ' ' ASP . 13.1 m-85 -46.4 -65.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.618 0.247 . . . . 0.0 110.74 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.32 -8.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.764 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' B' ' 44' ' ' PHE . 21.9 t0 -105.64 -14.38 15.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.671 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.33 -2.92 21.73 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.679 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.469 ' OE1' ' O ' ' B' ' 50' ' ' ASP . 5.3 pp0? -102.96 138.64 39.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 0.0 110.59 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -95.81 -4.07 44.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.659 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.469 ' O ' ' OE1' ' B' ' 48' ' ' GLN . 71.9 m-20 -75.44 92.64 2.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.521 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.444 ' O ' ' CG ' ' B' ' 55' ' ' ASP . 75.3 t -73.96 -32.37 33.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.627 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -72.71 -36.43 67.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.667 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -50.05 65.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.821 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -69.17 -34.7 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.435 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' B' ' 51' ' ' VAL . 56.2 m-20 -56.87 -42.94 80.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.529 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -64.81 -39.28 93.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.445 HG11 HD21 ' B' ' 81' ' ' LEU . 79.4 t -73.87 -30.51 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.689 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.5 ttt -72.56 -51.48 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.409 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -65.07 -31.51 72.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.444 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.36 -28.51 29.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.287 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 18.3 mt -69.9 -36.95 75.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.768 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -68.49 -28.49 67.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.579 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -75.45 -40.77 57.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.575 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -89.33 49.46 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.576 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' B' ' 66' ' ' ASP . . . -83.37 8.0 66.15 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' B' ' 65' ' ' GLY . 9.9 t70 -36.57 -34.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.771 0.32 . . . . 0.0 110.424 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 120.25 -14.43 10.2 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -151.2 132.36 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.968 0.413 . . . . 0.0 110.473 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.581 HG21 HD13 ' B' ' 33' ' ' LEU . 0.2 OUTLIER -93.32 -154.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.837 -179.715 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.438 ' H ' HG12 ' B' ' 69' ' ' VAL . 59.2 t0 -147.28 138.47 23.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.932 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -48.58 -49.24 37.5 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.563 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -52.83 -35.89 57.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.875 0.369 . . . . 0.0 110.351 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -75.88 -30.76 58.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.629 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.658 ' O ' HG13 ' B' ' 78' ' ' VAL . 21.4 t80 -64.8 -40.78 95.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.816 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -75.6 -30.08 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.71 -39.05 31.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.402 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.7 pp -78.17 -34.92 49.38 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.039 -0.664 . . . . 0.0 111.922 -178.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.658 HG13 ' O ' ' B' ' 74' ' ' TYR . 28.2 m -61.24 -41.77 90.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.349 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.465 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -72.09 -39.13 69.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.753 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.23 -28.91 3.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.505 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.445 HD21 HG11 ' B' ' 57' ' ' VAL . 78.3 mt -75.31 -33.5 61.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.71 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.1 m -69.68 -55.62 9.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 p -57.92 -26.16 27.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.612 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.49 7.19 5.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.633 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 t -127.31 -53.69 1.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.522 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -52.17 -30.88 28.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.604 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' B' ' 90' ' ' TRP . 53.1 t30 -55.41 -11.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.756 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -68.74 -54.49 15.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.702 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -46.8 -43.52 18.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.546 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.482 ' O ' ' O ' ' B' ' 87' ' ' ASN . 58.0 m95 -96.05 140.39 30.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -145.12 115.52 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.465 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -79.16 171.39 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.518 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.503 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -72.81 156.69 38.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.568 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.492 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 56.7 mp0 -57.6 -39.37 76.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.528 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -60.48 -48.46 81.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.238 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.92 -32.23 73.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.232 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.2 m -69.42 -34.94 75.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.703 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.34 -46.57 76.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.546 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 58.2 mmm -67.1 -36.83 82.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.441 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -56.54 -34.03 66.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.627 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.0 m -60.79 -43.23 98.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.684 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.589 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -58.88 -31.39 68.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.474 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.8 mm -70.24 -41.94 78.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.803 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -59.87 -55.45 34.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.04 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 15' ' ' PHE . 12.5 p -62.1 -39.95 85.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.671 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.473 ' N ' HG13 ' A' ' 14' ' ' VAL . 72.3 t80 -57.41 -42.14 81.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.58 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -79.1 -18.29 53.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.657 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.7 71.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.421 ' CD2' HD13 ' A' ' 36' ' ' LEU . 20.8 m-70 -89.66 -10.4 45.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.781 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.6 m -76.12 -2.21 29.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.541 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.56 3.88 68.89 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -75.52 -81.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.755 0.312 . . . . 0.0 110.61 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 23' ' ' GLY . 18.0 mt-10 -102.67 -51.62 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.52 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.49 ' O ' ' OD1' ' A' ' 24' ' ' ASP . . . -57.47 -129.57 0.01 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 23' ' ' GLY . 77.7 m-20 -150.8 -99.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.559 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -97.16 -74.12 0.58 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.632 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -93.42 24.91 3.67 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.404 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HB2' ' H ' ' A' ' 24' ' ' ASP . 42.8 mtmt -118.74 127.94 54.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.448 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' N ' ' OE2' ' A' ' 68' ' ' GLU . 36.1 tp -136.37 123.01 21.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -75.24 147.01 40.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.949 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.537 ' NZ ' ' OD1' ' A' ' 64' ' ' ASN . 39.3 tptt -67.93 -29.91 69.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.379 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -56.78 -44.94 82.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.907 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -80.43 -28.58 37.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.815 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.7 HD13 ' C ' ' A' ' 33' ' ' LEU . 3.0 tm? -55.14 -49.67 71.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.596 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -51.21 -35.4 36.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.647 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 39' ' ' THR . 70.2 mm-40 -79.36 -27.56 41.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 18' ' ' HIS . 19.7 tp -65.33 -56.36 13.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.565 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -51.11 -49.44 60.75 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.19 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 37' ' ' LEU . 7.2 pt20 -69.07 -25.65 64.55 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.961 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 21.4 m -71.31 -45.13 63.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.212 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -88.44 -27.21 21.68 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.386 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.98 47.27 1.85 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.252 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 p -67.74 -39.43 84.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.593 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.67 -33.04 17.1 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -54.59 30.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.707 0.289 . . . . 0.0 110.24 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.17 -8.87 49.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 33.1 t0 -94.43 -13.68 25.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.9 -1.62 48.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.781 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.583 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -104.74 136.25 44.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.646 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -95.01 -6.1 43.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.589 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.583 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 69.7 m-20 -70.02 106.22 3.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.572 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 82.2 t -78.51 -30.26 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -72.39 -36.61 68.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.683 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.67 -51.42 69.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.69 -34.23 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -56.67 -43.71 80.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.472 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.92 -37.52 87.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -76.6 -30.55 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.582 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 15.2 ttt -74.69 -49.99 19.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.318 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -63.97 -31.76 73.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.583 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.25 -35.75 60.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.577 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.21 -38.63 87.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.489 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -72.41 -28.49 63.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.613 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.5 -38.4 71.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.19 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.553 ' C ' ' H ' ' A' ' 66' ' ' ASP . 1.1 m-80 -65.51 -96.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.391 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . 70.08 -24.82 0.43 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.553 ' H ' ' C ' ' A' ' 64' ' ' ASN . 54.5 t0 -37.56 -32.49 0.05 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.972 0.415 . . . . 0.0 110.161 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 101.24 -9.91 57.93 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.491 ' OE2' ' N ' ' A' ' 28' ' ' LEU . 30.3 tp10 -143.06 132.51 23.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.172 0.511 . . . . 0.0 110.46 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.559 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.4 OUTLIER -92.59 -154.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.211 -179.659 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.559 ' H ' HG12 ' A' ' 69' ' ' VAL . 11.5 t70 -152.08 140.03 20.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.97 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -48.68 -52.93 20.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.951 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -58.37 -33.75 69.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.798 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.1 mm-40 -75.59 -30.89 59.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.465 ' CE1' HG11 ' A' ' 78' ' ' VAL . 8.9 t80 -69.02 -42.96 75.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.867 0.365 . . . . 0.0 110.92 -179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.01 -27.67 27.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -75.56 -37.44 37.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.248 -178.409 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.8 pp -76.2 -42.35 46.5 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.939 -0.704 . . . . 0.0 111.546 -179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.603 ' N ' HD12 ' A' ' 77' ' ' LEU . 19.1 m -59.36 -35.61 59.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.307 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.77 -40.65 69.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.557 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.84 -28.26 22.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.618 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.4 mt -72.52 -34.1 67.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.584 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.6 m -70.42 -54.16 13.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.5 -24.83 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.614 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.51 11.12 4.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.787 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 46.4 t -134.57 -49.92 0.78 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.649 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -52.18 -32.76 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.61 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.487 ' O ' ' O ' ' A' ' 90' ' ' TRP . 7.8 t-20 -63.24 -12.04 25.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.461 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -58.29 -40.58 82.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.683 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -70.22 -49.55 49.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.676 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.487 ' O ' ' O ' ' A' ' 87' ' ' ASN . 86.0 m95 -82.73 133.93 35.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.709 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 90' ' ' TRP . 94.6 mt-10 36.81 86.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.57 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -74.93 94.27 2.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.677 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.2 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.908 -1.044 . . . . 0.0 110.525 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -72.85 156.65 38.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 110.56 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.48 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 56.7 mp0 -57.55 -39.48 76.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.626 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.4 OUTLIER -60.26 -48.6 81.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.242 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.04 -32.19 73.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.054 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.1 m -69.39 -34.97 75.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.715 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.47 -46.54 76.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.481 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 58.2 mmm -67.13 -36.65 82.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.473 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.401 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 6.1 tt0 -56.71 -33.96 66.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.542 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 22.7 m -60.78 -43.18 98.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.77 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.593 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.9 mm? -58.98 -31.34 68.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.49 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.0 mm -70.31 -41.92 78.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.713 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 53.3 m-80 -59.8 -55.63 31.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.871 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.456 HG13 ' N ' ' B' ' 15' ' ' PHE . 12.3 p -62.06 -39.72 84.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.829 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.456 ' N ' HG13 ' B' ' 14' ' ' VAL . 72.8 t80 -57.7 -42.06 82.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.449 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -79.11 -18.27 53.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.631 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.65 71.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.421 ' CD2' HD13 ' B' ' 36' ' ' LEU . 20.8 m-70 -89.66 -10.44 45.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.848 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.8 m -76.17 -2.16 29.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.397 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.47 3.95 69.26 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -75.61 -81.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 110.617 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' B' ' 23' ' ' GLY . 18.2 mt-10 -102.72 -51.58 3.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.481 ' O ' ' OD1' ' B' ' 24' ' ' ASP . . . -57.46 -129.33 0.01 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.481 ' OD1' ' O ' ' B' ' 23' ' ' GLY . 77.6 m-20 -150.97 -99.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.778 0.323 . . . . 0.0 110.549 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -97.08 -74.21 0.58 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.637 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -93.34 24.79 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.334 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.412 ' HB2' ' H ' ' B' ' 24' ' ' ASP . 42.8 mtmt -118.72 127.92 54.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.434 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.489 ' N ' ' OE2' ' B' ' 68' ' ' GLU . 36.1 tp -136.32 123.1 21.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.349 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 60.0 p -75.44 146.99 40.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.016 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.527 ' NZ ' ' OD1' ' B' ' 64' ' ' ASN . 39.2 tptt -67.88 -30.01 69.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.34 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -56.62 -45.06 81.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.919 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -80.49 -28.59 37.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.703 ' C ' HD13 ' B' ' 33' ' ' LEU . 3.0 tm? -54.99 -49.81 70.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.579 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -51.0 -35.53 34.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.688 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.446 ' O ' ' OG1' ' B' ' 39' ' ' THR . 70.1 mm-40 -79.44 -27.5 41.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' B' ' 18' ' ' HIS . 19.9 tp -65.24 -56.4 12.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.644 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.68 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.34 -49.28 61.72 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.181 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.68 ' N ' HD12 ' B' ' 37' ' ' LEU . 7.2 pt20 -69.0 -25.65 64.62 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.987 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 21.3 m -71.31 -45.07 63.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.252 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -88.58 -27.18 21.54 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.257 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.93 47.25 1.85 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.83 0.347 . . . . 0.0 110.203 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.2 p -67.76 -39.36 84.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.631 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.82 -32.96 16.82 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.106 -0.797 . . . . 0.0 111.106 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.58 -54.49 32.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.253 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.44 -8.56 47.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.777 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.446 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 33.8 t0 -94.7 -13.71 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.588 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.01 -1.57 48.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.727 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.584 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 0.9 OUTLIER -104.65 136.18 44.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.86 0.362 . . . . 0.0 110.736 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.7 mmtt -94.91 -6.11 43.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.645 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.584 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 69.6 m-20 -70.01 106.23 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.637 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 81.8 t -78.52 -30.24 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.493 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -72.38 -36.72 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.645 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.5 69.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.72 -34.25 68.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -56.66 -43.73 80.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.465 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.9 -37.55 87.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 62.1 t -76.49 -30.62 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.585 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.2 ttt -74.66 -49.96 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.354 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -63.96 -31.66 72.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.572 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -53.37 -35.71 60.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.58 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.27 -38.6 87.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.516 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -72.3 -28.69 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.583 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -71.47 -38.35 71.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.25 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.552 ' C ' ' H ' ' B' ' 66' ' ' ASP . 1.1 m-80 -65.4 -96.65 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.419 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . 70.11 -24.83 0.43 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.552 ' H ' ' C ' ' B' ' 64' ' ' ASN . 54.5 t0 -37.56 -32.47 0.05 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.906 0.384 . . . . 0.0 110.102 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 101.27 -10.69 58.24 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.489 ' OE2' ' N ' ' B' ' 28' ' ' LEU . 30.0 tp10 -141.75 132.89 26.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.944 0.402 . . . . 0.0 110.589 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.554 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.5 OUTLIER -93.9 -154.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.001 -179.642 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.554 ' H ' HG12 ' B' ' 69' ' ' VAL . 11.6 t70 -151.96 140.2 20.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.918 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -48.6 -53.0 20.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.96 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -58.4 -33.73 69.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.425 ' O ' HG12 ' B' ' 76' ' ' VAL . 71.1 mm-40 -75.58 -30.91 59.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.011 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.453 ' CE1' HG11 ' B' ' 78' ' ' VAL . 8.9 t80 -69.18 -42.66 75.56 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.961 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -72.17 -27.64 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.425 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.7 OUTLIER -75.5 -37.38 37.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 120.411 -0.515 . . . . 0.0 112.354 -178.439 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.593 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.8 pp -76.24 -42.33 46.2 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.554 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.593 ' N ' HD12 ' B' ' 77' ' ' LEU . 19.0 m -59.37 -35.5 58.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.368 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.92 -40.59 68.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.91 -28.16 22.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.601 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.1 mt -72.52 -34.14 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.598 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.6 m -70.51 -54.12 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.792 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.56 -24.78 34.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.57 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.58 11.12 4.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.3 t -134.49 -49.86 0.78 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.603 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -52.38 -32.61 39.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.579 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.494 ' O ' ' O ' ' B' ' 90' ' ' TRP . 7.7 t-20 -63.18 -12.13 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.587 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -58.19 -40.75 82.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.551 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -70.18 -49.58 48.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.718 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.494 ' O ' ' O ' ' B' ' 87' ' ' ASN . 85.9 m95 -82.7 133.91 35.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.741 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' B' ' 90' ' ' TRP . 94.9 mt-10 36.75 86.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.513 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -74.86 94.33 2.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.53 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 74.7 p . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.597 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -72.58 149.32 44.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.686 0.279 . . . . 0.0 110.613 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.486 ' O ' ' OG1' ' A' ' 6' ' ' THR . 85.1 tt0 -56.25 -34.79 66.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.585 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.795 ' C ' HD13 ' A' ' 4' ' ' LEU . 2.7 tm? -68.56 -47.58 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.222 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -61.92 -32.89 73.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 17.6 p -69.02 -36.91 78.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.654 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.43 72.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.421 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.0 mmm -69.27 -38.44 78.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.518 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.7 -35.1 60.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.7 m -60.36 -43.79 96.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.72 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.7 mm? -56.28 -31.21 63.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.583 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.2 mm -71.28 -44.5 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -60.29 -55.66 31.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.781 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.516 HG13 ' N ' ' A' ' 15' ' ' PHE . 13.2 p -62.36 -41.1 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.516 ' N ' HG13 ' A' ' 14' ' ' VAL . 81.2 t80 -59.76 -42.19 92.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.592 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' SER . 3.7 t-80 -73.23 -47.36 43.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.5 -38.71 6.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.807 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.579 ' CD2' HD13 ' A' ' 36' ' ' LEU . 60.6 m-70 -88.21 -11.92 45.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.738 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 16' ' ' HIS . 38.3 m -73.85 0.66 12.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.452 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.82 -13.05 83.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.58 ' O ' ' N ' ' A' ' 23' ' ' GLY . 26.1 mmtp -84.0 109.77 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.646 0.26 . . . . 0.0 110.512 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 23' ' ' GLY . 67.6 mm-40 59.93 -70.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.65 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 21' ' ' LYS . . . -35.52 158.08 0.01 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -82.99 -67.63 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.656 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -141.51 -63.68 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -91.62 5.89 47.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.513 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -103.37 136.35 43.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.527 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -140.16 120.95 14.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.182 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -57.46 144.9 34.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.298 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HD3' HG22 ' A' ' 69' ' ' VAL . 48.9 tptt -65.76 -35.94 82.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.125 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -57.28 -42.39 81.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.837 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -80.24 -28.68 38.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.74 HD13 ' C ' ' A' ' 33' ' ' LEU . 3.1 tm? -62.92 -55.31 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.638 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -52.03 -34.65 44.09 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.628 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.42 -27.33 41.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' A' ' 18' ' ' HIS . 21.7 tp -65.22 -55.38 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.752 -179.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.707 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -50.72 -50.1 56.07 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.169 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.707 ' N ' HD12 ' A' ' 37' ' ' LEU . 12.8 pt20 -65.86 -25.66 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 110.793 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.8 m -75.26 -38.1 60.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.175 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -93.69 -27.32 16.61 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.508 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.4 HD22 HD12 ' A' ' 81' ' ' LEU . 7.0 mp -115.72 43.99 1.98 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 110.456 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.0 p -68.0 -27.25 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.754 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.48 -50.93 6.91 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' A' ' 46' ' ' ASP . 15.3 m-85 -48.77 -64.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.676 0.274 . . . . 0.0 110.813 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.46 -9.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.795 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 44' ' ' PHE . 56.1 t0 -105.47 -16.76 14.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.643 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.93 -2.84 28.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.609 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.562 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.8 pp0? -105.16 143.81 32.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.689 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -109.45 2.6 20.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.492 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.562 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 88.4 m-20 -73.33 106.07 4.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.744 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 95.4 t -73.47 -34.45 42.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.71 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -70.23 -37.2 74.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.48 -51.4 70.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.787 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.12 -33.04 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.608 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.1 -42.72 95.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.605 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -62.89 -38.22 90.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.685 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -77.21 -30.39 17.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.588 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.1 ttt -68.68 -50.94 47.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.241 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -66.37 -31.73 72.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.58 -31.3 46.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.602 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.47 -35.99 82.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -74.73 -27.81 60.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.76 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.14 -40.78 86.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.133 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -100.4 104.95 16.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.372 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -123.57 -4.54 8.12 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -41.84 -20.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.95 0.405 . . . . 0.0 110.372 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 99.65 -9.89 60.65 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -150.91 132.85 15.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.379 . . . . 0.0 110.635 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.472 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -92.41 -154.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.133 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.472 ' H ' HG12 ' A' ' 69' ' ' VAL . 18.8 t70 -142.96 148.24 36.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.216 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -50.5 -47.38 57.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -54.85 -33.51 61.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -75.49 -30.58 59.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.705 ' O ' HG13 ' A' ' 78' ' ' VAL . 29.4 t80 -69.39 -38.0 77.79 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.24 -179.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -75.58 -28.64 19.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.57 -40.36 33.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -78.58 -35.85 45.26 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.303 -0.559 . . . . 0.0 112.254 -178.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 74' ' ' TYR . 29.5 m -58.1 -40.17 75.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.498 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.444 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -73.89 -40.57 63.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.674 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.79 -29.06 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.677 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.4 HD12 HD22 ' A' ' 41' ' ' LEU . 95.2 mt -75.53 -35.87 60.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.691 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.8 m -66.25 -55.61 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.898 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -51.84 -25.52 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.26 28.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 t -146.81 -51.75 0.21 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.516 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -51.74 -31.82 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -44.43 -26.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.534 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -44.55 -45.08 9.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.517 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -61.44 -48.53 80.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.435 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -97.54 95.37 7.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.49 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -85.58 159.7 19.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.592 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.3 m-20 -63.69 168.98 4.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.632 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.1 -0.952 . . . . 0.0 110.561 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.739 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -72.58 149.36 44.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.471 ' O ' ' OG1' ' B' ' 6' ' ' THR . 85.1 tt0 -56.15 -34.9 66.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.591 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.794 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.7 tm? -68.5 -47.44 67.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -61.94 -33.0 73.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.515 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 17.8 p -69.01 -36.76 78.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.7 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.59 -41.33 73.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.434 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 49.0 mmm -69.36 -38.48 78.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.477 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.69 -35.0 60.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.557 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 35.9 m -60.4 -43.81 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.537 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.7 mm? -56.24 -31.42 63.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.485 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 10.0 mm -71.12 -44.53 74.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.904 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -60.32 -55.65 31.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.506 HG13 ' N ' ' B' ' 15' ' ' PHE . 13.0 p -62.19 -41.38 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.574 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.506 ' N ' HG13 ' B' ' 14' ' ' VAL . 81.1 t80 -59.63 -42.13 92.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.59 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' B' ' 19' ' ' SER . 3.8 t-80 -73.34 -47.35 43.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.45 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.57 -38.69 6.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.779 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.575 ' CD2' HD13 ' B' ' 36' ' ' LEU . 60.5 m-70 -88.14 -11.86 45.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.705 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.432 ' N ' ' O ' ' B' ' 16' ' ' HIS . 38.5 m -73.9 0.66 12.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.489 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.88 -13.04 83.83 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.573 ' O ' ' N ' ' B' ' 23' ' ' GLY . 26.1 mmtp -83.89 109.71 17.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.481 ' O ' ' O ' ' B' ' 23' ' ' GLY . 67.8 mm-40 59.95 -70.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.623 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' B' ' 21' ' ' LYS . . . -35.54 158.14 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -83.02 -67.55 0.78 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.748 0.309 . . . . 0.0 110.752 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 pttp -141.51 -63.52 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.482 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -91.75 5.82 48.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.468 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -103.17 136.47 42.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.553 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 20.6 tp -140.23 120.73 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.276 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -57.2 144.94 33.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.307 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.41 ' HD3' HG22 ' B' ' 69' ' ' VAL . 48.9 tptt -65.84 -36.03 82.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.054 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -57.35 -42.24 81.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.869 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -80.36 -28.53 38.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.038 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.746 ' C ' HD13 ' B' ' 33' ' ' LEU . 3.1 tm? -63.02 -55.15 28.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.686 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -52.13 -34.75 45.84 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.565 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.45 ' O ' ' OG1' ' B' ' 39' ' ' THR . 43.8 mt-10 -79.25 -27.4 42.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.575 HD13 ' CD2' ' B' ' 18' ' ' HIS . 22.0 tp -65.1 -55.39 19.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.839 -179.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.72 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -50.84 -50.03 57.52 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.147 -178.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.72 ' N ' HD12 ' B' ' 37' ' ' LEU . 12.8 pt20 -65.88 -25.58 67.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.819 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 96.8 m -75.3 -38.06 60.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.235 -179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -93.87 -27.22 16.54 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.425 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -115.81 44.0 1.99 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.741 0.305 . . . . 0.0 110.43 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.1 p -67.97 -27.3 66.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.807 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.5 -50.89 6.94 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.431 ' C ' ' H ' ' B' ' 46' ' ' ASP . 15.6 m-85 -48.82 -64.69 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.756 -0.261 . . . . 0.0 110.931 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.6 -9.21 0.3 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.766 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' B' ' 44' ' ' PHE . 56.1 t0 -105.51 -16.71 14.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.604 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.9 -2.78 29.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.707 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.566 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.8 pp0? -105.27 143.81 32.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.621 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -109.41 2.54 20.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.497 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.566 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 88.4 m-20 -73.27 106.04 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.689 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 94.9 t -73.44 -34.48 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.751 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -70.28 -37.25 74.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.713 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.39 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.722 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.08 -33.11 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.572 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.08 -42.73 95.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.575 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -62.96 -38.23 90.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 99.1 t -77.14 -30.57 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.2 ttt -68.58 -50.98 47.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.259 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -66.39 -31.53 72.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.476 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.57 -31.58 47.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.489 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 17.1 mt -64.33 -35.99 82.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.481 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.8 -27.72 60.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.738 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.21 -40.73 86.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.216 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -100.42 105.0 16.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.353 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -123.54 -4.61 8.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -41.65 -20.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.995 0.426 . . . . 0.0 110.385 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 99.59 -9.63 60.64 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -150.97 133.15 15.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.93 0.395 . . . . 0.0 110.611 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.468 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.3 OUTLIER -93.6 -154.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.806 -179.547 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.468 ' H ' HG12 ' B' ' 69' ' ' VAL . 18.8 t70 -143.0 148.3 36.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.216 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.4 ' CE2' ' HB1' ' A' ' 79' ' ' ALA . 43.0 t80 -50.59 -47.25 58.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.854 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -54.96 -33.5 62.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.777 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -75.58 -30.58 59.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.157 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.696 ' O ' HG13 ' B' ' 78' ' ' VAL . 29.8 t80 -69.27 -38.02 78.18 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.396 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.56 -28.58 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -40.35 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.422 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -78.62 -35.97 44.8 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.319 -0.552 . . . . 0.0 112.134 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.696 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.4 m -58.07 -40.16 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.49 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.437 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -73.89 -40.49 63.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.751 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.97 -28.88 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.606 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 95.1 mt -75.56 -35.8 60.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.784 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 60.1 m -66.36 -55.56 15.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.772 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -52.03 -25.4 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.571 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.36 28.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.645 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.8 t -146.89 -51.6 0.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -51.67 -31.94 27.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.515 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -44.46 -26.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.589 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -44.46 -45.1 8.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.648 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -61.49 -48.43 81.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.521 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -97.56 95.37 7.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.461 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -85.64 159.67 19.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -63.62 168.99 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.537 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.219 -0.546 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.54 179.866 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.749 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 m -65.83 152.52 44.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 110.597 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -70.49 -32.0 69.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.636 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.582 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -61.72 -48.69 79.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.422 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.08 -31.23 67.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.38 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.9 m -68.97 -35.25 76.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.61 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.16 76.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.623 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.5 mmm -68.83 -33.36 73.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.525 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -58.16 -35.64 71.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.705 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.6 m -59.8 -38.24 81.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.607 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.6 mm? -64.78 -31.29 72.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.632 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.0 mm -71.01 -42.22 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.782 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -59.96 -55.44 33.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.3 p -62.85 -41.82 94.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.713 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.492 ' N ' HG13 ' A' ' 14' ' ' VAL . 94.0 t80 -59.47 -42.21 91.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.554 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -77.0 -24.73 52.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.606 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.4 -40.04 96.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.479 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.628 ' NE2' HD13 ' A' ' 36' ' ' LEU . 56.7 m-70 -86.65 -12.93 47.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.366 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.5 m -65.8 -27.48 68.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.444 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.06 -10.66 78.29 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -61.86 -73.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.629 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -121.03 -35.97 3.22 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.556 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.84 171.63 4.51 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' A' ' 26' ' ' TYR . 81.2 m-20 -90.8 67.63 6.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.601 0.238 . . . . 0.0 110.625 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mttm 68.29 -44.67 0.51 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.039 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.428 ' H ' ' C ' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -100.17 -50.1 4.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.704 0.288 . . . . 0.0 110.485 -179.698 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HB2' ' H ' ' A' ' 24' ' ' ASP . 39.7 mtmt -61.91 170.51 2.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.55 HD23 HD12 ' A' ' 33' ' ' LEU . 26.8 tp -155.19 126.22 7.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.19 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.7 p -68.69 150.33 48.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.392 . . . . 0.0 111.221 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -65.99 -36.15 82.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.293 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.02 -39.35 74.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.739 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -81.63 -40.01 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.564 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.55 HD12 HD23 ' A' ' 28' ' ' LEU . 6.9 tt -64.6 -43.5 93.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.844 -178.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -52.13 -40.46 61.37 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.855 -179.329 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' A' ' 34' ' ' LYS . 94.4 mt-10 -79.9 -27.25 39.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.173 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.628 HD13 ' NE2' ' A' ' 18' ' ' HIS . 35.7 tp -63.97 -50.86 66.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.879 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.1 pp -50.63 -44.78 57.38 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.248 -179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.537 ' N ' HD12 ' A' ' 37' ' ' LEU . 18.5 pt20 -77.12 -25.46 52.13 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.987 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.1 m -66.76 -43.53 83.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.59 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -88.06 -26.82 22.35 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.509 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.61 44.97 1.91 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.732 0.301 . . . . 0.0 110.515 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -68.68 -28.07 66.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.37 -46.38 26.55 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.439 -0.664 . . . . 0.0 111.439 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.507 ' CZ ' HG23 ' A' ' 82' ' ' THR . 10.2 m-85 -53.29 -62.68 1.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.812 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -56.7 -9.09 0.68 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.8 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -103.22 -11.34 18.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.525 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.0 -2.5 15.06 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.965 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.7 pp0? -97.84 135.72 39.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.706 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -98.59 -15.28 19.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.503 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.517 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 85.9 m-20 -61.85 105.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.646 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.443 ' O ' ' CG ' ' A' ' 55' ' ' ASP . 78.9 t -78.89 -31.84 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.648 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -72.51 -33.36 66.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.705 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.72 -47.74 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.6 p -72.28 -32.13 41.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.667 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 51' ' ' VAL . 87.5 m-20 -57.48 -49.54 75.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.548 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -64.21 -33.86 76.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.673 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.8 t -76.96 -30.57 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 24.0 ttp -69.69 -51.54 33.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.455 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -64.12 -32.26 73.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.488 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.548 ' OE2' ' ND2' ' A' ' 64' ' ' ASN . 13.7 tm-20 -53.53 -34.86 59.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.562 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.7 mt -71.12 -28.95 64.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.95 -49.83 41.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.112 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -65.27 -36.86 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.772 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.548 ' ND2' ' OE2' ' A' ' 60' ' ' GLU . 36.4 m-80 -86.86 37.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.532 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.87 17.59 49.58 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.77 -42.15 34.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.547 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.27 -16.47 4.39 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -146.8 131.57 17.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.334 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.548 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.3 OUTLIER -93.31 -154.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.484 0.659 . . . . 0.0 111.383 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.548 ' H ' HG12 ' A' ' 69' ' ' VAL . 56.7 t0 -146.56 132.8 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.378 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -47.98 -46.38 32.49 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.392 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -52.35 -37.26 55.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.047 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.66 -30.45 59.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.565 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.699 ' O ' HG13 ' A' ' 78' ' ' VAL . 57.4 t80 -63.64 -40.64 97.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.1 m -75.51 -30.57 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.52 -39.43 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.19 -34.37 49.54 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.91 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.2 m -62.78 -40.99 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.239 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.467 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -72.65 -39.91 66.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.25 -28.9 2.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.683 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.3 mt -75.17 -37.47 61.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.646 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.507 HG23 ' CZ ' ' A' ' 44' ' ' PHE . 98.9 m -67.62 -55.37 13.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.772 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.0 p -57.77 -18.13 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.625 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.97 29.96 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.625 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.7 t -149.38 -50.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.4 ' N ' HD22 ' A' ' 86' ' ' ASN . 2.7 m120 -51.77 -34.5 39.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.69 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -47.95 -22.19 0.55 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.7 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -54.91 -47.51 74.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -56.25 -66.66 0.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.63 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -77.96 88.66 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.65 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -152.7 129.76 11.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.415 HD22 ' N ' ' A' ' 93' ' ' SER . 0.7 OUTLIER -153.84 112.07 3.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.626 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.415 ' N ' HD22 ' A' ' 92' ' ' ASN . 11.5 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.518 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.721 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.6 m -65.87 152.71 43.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.762 0.315 . . . . 0.0 110.521 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -70.7 -31.92 68.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.532 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.593 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -61.91 -48.5 80.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.33 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -71.31 -31.13 67.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.303 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.3 m -68.97 -35.3 76.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.629 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.43 -44.13 75.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.65 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 66.6 mmm -68.82 -33.44 73.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.485 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -58.05 -35.77 71.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.745 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 19.2 m -59.79 -38.02 80.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.998 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.619 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.6 mm? -64.85 -31.3 72.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.635 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.405 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 10.8 mm -70.95 -42.26 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.799 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -60.01 -55.44 34.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.494 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.1 p -62.9 -41.84 94.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.624 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.494 ' N ' HG13 ' B' ' 14' ' ' VAL . 94.0 t80 -59.38 -42.19 91.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.616 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -77.02 -24.73 52.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.616 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.18 96.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.48 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.623 ' NE2' HD13 ' B' ' 36' ' ' LEU . 57.1 m-70 -86.54 -12.97 47.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.451 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 73.0 m -65.66 -27.64 68.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.501 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.93 -10.65 77.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -62.0 -73.52 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.764 0.316 . . . . 0.0 110.627 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -121.09 -35.99 3.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.488 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.73 171.59 4.41 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -90.91 67.64 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.589 0.233 . . . . 0.0 110.566 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.5 mttm 68.25 -44.49 0.5 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.963 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -100.2 -50.16 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.531 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -61.9 170.61 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.546 HD23 HD12 ' B' ' 33' ' ' LEU . 27.4 tp -155.3 126.1 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.275 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 85.3 p -68.65 150.49 47.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.401 ' HZ3' ' HB3' ' B' ' 64' ' ' ASN . 44.4 tptt -66.08 -36.1 82.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.263 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.483 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.12 -39.25 74.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.84 -179.767 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -81.55 -40.13 23.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.644 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.546 HD12 HD23 ' B' ' 28' ' ' LEU . 6.9 tt -64.47 -43.44 94.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.908 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.439 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 0.2 OUTLIER -52.14 -40.44 61.38 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.908 -179.325 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' B' ' 34' ' ' LYS . 94.4 mt-10 -79.9 -27.38 39.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.193 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.623 HD13 ' NE2' ' B' ' 18' ' ' HIS . 35.1 tp -63.95 -50.77 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.875 -178.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.532 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.1 pp -50.69 -44.78 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.247 -179.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.532 ' N ' HD12 ' B' ' 37' ' ' LEU . 18.6 pt20 -76.81 -25.73 53.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.794 0.33 . . . . 0.0 111.084 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.7 m -66.68 -43.64 83.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.586 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -87.97 -26.87 22.44 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.504 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.62 44.93 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.473 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 1.1 m -68.5 -28.27 66.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.28 -46.47 26.69 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.51 ' CZ ' HG23 ' B' ' 82' ' ' THR . 10.3 m-85 -53.22 -62.67 1.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.666 0.269 . . . . 0.0 110.873 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -56.78 -9.01 0.68 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.747 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.403 ' OD2' ' O ' ' B' ' 42' ' ' SER . 58.3 m-20 -103.32 -11.3 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.543 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.09 -2.63 14.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.864 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.515 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.7 pp0? -97.81 135.63 39.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.648 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -98.59 -15.26 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.486 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.515 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 86.1 m-20 -61.8 105.16 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . 0.442 ' O ' ' CG ' ' B' ' 55' ' ' ASP . 79.4 t -78.81 -31.86 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.668 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -72.59 -33.32 66.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.66 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.6 -47.8 77.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.7 p -72.24 -32.09 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.696 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' B' ' 51' ' ' VAL . 87.2 m-20 -57.46 -49.52 75.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.559 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -64.2 -33.95 76.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.587 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 78.5 t -76.94 -30.6 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.708 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 24.1 ttp -69.69 -51.42 34.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.478 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -64.16 -32.29 73.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.491 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.543 ' OE2' ' ND2' ' B' ' 64' ' ' ASN . 13.7 tm-20 -53.51 -34.85 59.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 25.3 mt -71.17 -28.9 64.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.91 -50.02 39.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.094 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -65.2 -36.82 85.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.837 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.543 ' ND2' ' OE2' ' B' ' 60' ' ' GLU . 36.5 m-80 -86.81 37.87 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.563 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.81 17.6 49.2 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.85 -41.93 34.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.743 0.306 . . . . 0.0 110.51 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.12 -16.33 4.44 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -146.69 131.88 18.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.763 0.316 . . . . 0.0 110.312 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.547 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.4 OUTLIER -95.19 -153.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.174 0.511 . . . . 0.0 111.056 -179.676 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.547 ' H ' HG12 ' B' ' 69' ' ' VAL . 56.4 t0 -146.4 132.97 19.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.43 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.405 ' CZ ' ' CD1' ' B' ' 12' ' ' ILE . 34.8 t80 -47.92 -46.5 32.05 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.5 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -52.3 -37.21 55.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.092 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -75.76 -30.54 59.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.471 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.697 ' O ' HG13 ' B' ' 78' ' ' VAL . 57.9 t80 -63.63 -40.58 97.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.412 HG22 ' H ' ' B' ' 75' ' ' VAL . 31.0 m -75.54 -30.52 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -39.44 32.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.24 -34.3 49.25 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.908 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.697 HG13 ' O ' ' B' ' 74' ' ' TYR . 27.1 m -62.66 -41.03 90.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.274 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.472 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -72.76 -39.91 66.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.808 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.23 -28.87 2.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.661 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.1 mt -75.19 -37.45 61.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.705 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.51 HG23 ' CZ ' ' B' ' 44' ' ' PHE . 99.2 m -67.68 -55.35 13.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.706 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 9.1 p -57.91 -18.04 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.608 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.95 30.01 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 34.8 t -149.48 -50.43 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -51.89 -34.5 41.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.627 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -47.84 -22.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.723 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -54.99 -47.52 74.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.748 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -56.09 -66.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.751 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -77.94 88.71 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -152.75 129.8 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.474 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.403 HD22 ' N ' ' B' ' 93' ' ' SER . 0.7 OUTLIER -153.94 112.19 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.475 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.403 ' N ' HD22 ' B' ' 92' ' ' ASN . 11.5 t . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.538 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -70.25 161.18 30.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.803 0.335 . . . . 0.0 110.509 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' A' ' 6' ' ' THR . 93.1 mt-10 -57.46 -33.81 68.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.645 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.784 ' C ' HD13 ' A' ' 4' ' ' LEU . 3.0 tm? -67.95 -48.68 65.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.088 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -58.76 -37.74 76.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.7 p -64.3 -35.13 79.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.534 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.49 -41.49 73.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.44 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.3 mmm -69.37 -36.87 77.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.396 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -57.21 -33.65 67.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.1 m -60.63 -42.47 96.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.616 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.598 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -59.21 -31.5 69.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.534 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.9 mm -70.87 -44.28 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -59.97 -55.58 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 15' ' ' PHE . 12.0 p -60.22 -36.74 70.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.615 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.42 ' N ' HG13 ' A' ' 14' ' ' VAL . 43.0 t80 -60.85 -42.85 98.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -84.64 -18.64 34.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.714 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.6 -35.93 73.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.444 ' CD2' HD13 ' A' ' 36' ' ' LEU . 66.6 m-70 -93.38 -11.57 31.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.918 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 54.1 m -73.93 -1.59 20.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.494 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.66 -0.35 87.89 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -72.55 -79.59 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -106.06 -45.38 4.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.94 171.85 9.22 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -91.06 -61.08 1.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.904 0.383 . . . . 0.0 110.619 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -141.18 -91.95 0.15 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.604 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.68 2.43 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.3 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -96.39 134.54 39.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.742 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.9 tp -140.58 120.64 13.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.341 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.22 146.87 40.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -68.84 -29.75 68.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.322 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -56.41 -44.55 80.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.98 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -80.49 -28.48 37.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.681 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.4 tm? -55.28 -53.15 59.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.827 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -51.34 -36.39 42.63 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.651 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -79.39 -27.16 41.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.783 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 18' ' ' HIS . 21.2 tp -66.83 -56.37 10.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.932 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -51.53 -48.94 62.83 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.314 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.7 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.3 pt20 -66.33 -25.67 66.94 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.868 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.1 m -74.12 -37.68 64.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.144 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.59 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 1.5 mp0 -93.38 -26.49 17.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.857 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.45 46.04 2.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 110.466 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -68.31 -33.42 74.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.604 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.71 -39.92 7.95 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.57 -61.75 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 0.0 110.372 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.39 -10.62 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.672 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -96.61 -16.6 20.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.587 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.63 -2.83 43.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.639 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.513 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.7 pp0? -105.29 136.07 45.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.54 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -99.92 -0.48 39.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.513 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 62.4 m-20 -75.01 96.36 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.98 -27.35 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.627 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -73.33 -35.11 65.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.704 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.23 -51.54 63.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -66.97 -35.4 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.558 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -57.58 -44.16 85.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -62.52 -39.24 92.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.684 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -74.83 -30.68 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.679 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 31.6 ttp -72.75 -50.02 27.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.474 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.64 -31.68 72.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -53.01 -32.98 49.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.5 mt -60.26 -40.46 90.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.57 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -66.35 -34.94 79.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.502 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -68.58 -38.37 80.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.122 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -101.19 94.04 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.242 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.537 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -121.23 -3.93 10.32 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' GLY . 42.2 t0 -37.89 -26.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.901 0.381 . . . . 0.0 110.487 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 101.29 -6.05 55.75 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -142.97 132.18 23.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.064 0.459 . . . . 0.0 110.528 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.606 HG12 ' H ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -92.62 -154.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.341 -179.483 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.606 ' H ' HG12 ' A' ' 69' ' ' VAL . 23.7 m-20 -152.74 143.91 23.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.912 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -49.05 -53.16 21.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.752 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -55.88 -33.5 64.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.709 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' O ' HD23 ' A' ' 77' ' ' LEU . 71.5 mm-40 -75.19 -30.94 60.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.961 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.488 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.6 t80 -70.74 -42.04 71.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.845 0.355 . . . . 0.0 111.062 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.8 m -74.87 -27.84 20.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.55 -39.86 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.5 pp -77.26 -34.76 55.69 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.076 -0.649 . . . . 0.0 111.79 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 79' ' ' ALA . 30.6 m -63.21 -44.47 99.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.479 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.494 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -70.52 -34.65 72.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.699 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.52 -26.13 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.504 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.7 mt -75.54 -38.1 59.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.685 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.9 m -62.05 -55.46 28.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.781 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -47.1 -38.69 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.653 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.0 -24.66 68.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.661 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.9 t -81.57 -60.3 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.637 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' A' ' 88' ' ' PHE . 5.5 m120 -48.46 -28.75 3.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.662 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -46.77 -12.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.768 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.518 ' N ' ' O ' ' A' ' 86' ' ' ASN . 37.9 t80 -73.9 -31.77 63.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.418 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -58.35 -5.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.435 ' H ' ' C ' ' A' ' 88' ' ' PHE . 21.4 m95 -79.58 138.19 37.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.474 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -85.12 179.13 7.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.669 ' H ' HD22 ' A' ' 92' ' ' ASN . 0.6 OUTLIER -85.33 121.61 28.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.535 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -70.35 161.17 30.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.887 0.375 . . . . 0.0 110.468 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.463 ' O ' ' OG1' ' B' ' 6' ' ' THR . 92.9 mt-10 -57.33 -33.89 68.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.675 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.784 HD13 ' C ' ' B' ' 4' ' ' LEU . 3.0 tm? -67.98 -48.67 65.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.036 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -58.84 -37.69 77.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 23.7 p -64.4 -34.87 79.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.575 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.69 -41.31 73.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.49 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.6 mmm -69.47 -36.83 76.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.404 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -56.93 -33.87 67.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.586 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 24.1 m -60.71 -42.36 97.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.696 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.592 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.9 mm? -59.33 -31.35 69.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 11.1 mm -71.03 -44.18 75.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -60.04 -55.64 31.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.407 HG13 ' N ' ' B' ' 15' ' ' PHE . 11.9 p -60.18 -36.73 69.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.407 ' N ' HG13 ' B' ' 14' ' ' VAL . 43.7 t80 -60.82 -42.93 98.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.666 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -84.55 -18.64 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.736 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.57 -35.99 73.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.799 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.437 ' CD2' HD13 ' B' ' 36' ' ' LEU . 66.7 m-70 -93.29 -11.75 31.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.958 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.3 m -73.86 -1.61 20.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.62 -0.4 87.94 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -72.43 -79.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.656 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -106.13 -45.29 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.597 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.13 171.97 9.51 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -91.21 -60.99 1.76 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.82 0.343 . . . . 0.0 110.503 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' B' ' 27' ' ' LYS . 74.8 mttt -141.19 -91.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.88 2.53 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.232 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' B' ' 25' ' ' LYS . 37.5 mtmt -96.48 134.5 39.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.706 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 tp -140.47 120.84 14.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.392 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.54 146.86 40.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.013 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -68.65 -29.79 68.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.32 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -56.47 -44.81 80.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.745 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -80.3 -28.49 38.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.653 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.67 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.4 tm? -55.1 -53.39 56.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -51.11 -36.51 40.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.638 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -79.35 -27.18 41.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.725 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.437 HD13 ' CD2' ' B' ' 18' ' ' HIS . 20.9 tp -66.91 -56.45 10.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.805 -178.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.699 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -51.41 -48.98 62.47 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.976 -0.289 . . . . 0.0 111.335 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.699 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.3 pt20 -66.41 -25.66 66.86 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.865 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 67.1 m -74.09 -37.7 64.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.134 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.578 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 1.5 mp0 -93.42 -26.48 17.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.859 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.49 46.06 2.07 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 110.336 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -68.39 -33.27 73.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.631 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.74 -40.01 7.89 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.61 -61.7 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.661 0.267 . . . . 0.0 110.443 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 pp -61.32 -10.55 7.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.725 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -96.6 -16.68 20.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.601 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.66 -2.83 43.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.602 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.52 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.7 pp0? -105.13 136.05 45.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.69 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -99.95 -0.48 39.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.52 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 62.9 m-20 -75.06 96.34 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.479 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.95 -27.47 37.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.51 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -73.21 -35.23 66.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.677 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.13 -51.48 63.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.4 p -67.05 -35.36 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.619 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -57.65 -44.12 85.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.547 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -62.41 -39.46 93.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.624 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.81 -30.58 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.677 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 31.5 ttp -72.92 -49.95 26.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.46 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -65.59 -31.66 72.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.524 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -52.94 -33.1 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -60.27 -40.43 90.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.482 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -66.48 -34.77 78.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.449 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -68.63 -38.46 80.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.042 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -101.12 93.95 5.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.342 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -121.12 -3.9 10.43 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' B' ' 65' ' ' GLY . 42.2 t0 -37.93 -26.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.793 0.33 . . . . 0.0 110.433 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 101.31 -6.65 56.02 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -141.75 132.3 25.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 0.0 110.737 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.593 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.6 OUTLIER -93.7 -155.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.135 -179.456 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.593 ' H ' HG12 ' B' ' 69' ' ' VAL . 23.4 m-20 -152.28 144.07 23.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.826 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -49.05 -53.3 20.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.768 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -55.81 -33.46 64.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.735 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.414 ' O ' HD23 ' B' ' 77' ' ' LEU . 71.5 mm-40 -75.34 -30.7 60.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.49 ' O ' HG13 ' B' ' 78' ' ' VAL . 18.6 t80 -70.84 -42.05 70.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.731 0.301 . . . . 0.0 110.997 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 22.3 m -74.84 -27.98 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.974 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -39.93 34.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.418 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -77.15 -34.71 56.46 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.823 -178.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.49 HG13 ' O ' ' B' ' 74' ' ' TYR . 31.0 m -63.24 -44.47 99.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.507 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.49 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -70.57 -34.53 72.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.762 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.53 -26.17 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.515 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.41 -38.25 59.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.745 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 53.0 m -62.1 -55.29 30.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -47.14 -38.73 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.688 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.8 -24.81 67.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.682 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 7.8 t -81.57 -60.18 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.687 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' B' ' 88' ' ' PHE . 5.5 m120 -48.6 -28.84 3.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.422 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -46.77 -12.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.685 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' B' ' 86' ' ' ASN . 37.6 t80 -73.83 -31.66 63.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.554 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -58.52 -5.12 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.437 ' H ' ' C ' ' B' ' 88' ' ' PHE . 21.4 m95 -79.61 138.07 37.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.555 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -84.99 179.06 7.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.505 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.688 HD22 ' H ' ' B' ' 92' ' ' ASN . 0.6 OUTLIER -85.21 121.4 27.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.608 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.552 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 t -78.0 146.54 35.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.697 0.284 . . . . 0.0 110.596 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.53 -33.1 73.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.449 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.589 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -63.52 -48.68 76.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.417 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -69.2 -31.53 70.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.37 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.1 m -69.49 -36.14 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.7 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.57 74.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.655 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.8 mmm -67.09 -39.74 86.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.463 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -54.16 -34.51 60.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.625 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.467 HG22 HD22 ' B' ' 4' ' ' LEU . 18.5 m -59.98 -38.97 84.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.62 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.6 mm? -63.97 -31.31 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.639 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.2 mm -71.11 -40.31 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -59.9 -55.19 37.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.787 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.3 p -60.64 -43.47 94.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.505 ' N ' HG13 ' A' ' 14' ' ' VAL . 66.0 t80 -55.45 -38.75 69.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.527 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -84.62 -17.8 37.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.685 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.09 -37.19 64.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.651 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.679 ' CD2' HD13 ' A' ' 36' ' ' LEU . 40.6 m-70 -90.09 -9.56 47.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.731 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.2 m -77.43 6.5 6.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.518 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.91 -6.26 62.09 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -73.34 -74.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.947 0.403 . . . . 0.0 110.524 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -136.53 64.44 1.55 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.407 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ASP . . . -168.76 135.04 3.43 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 23' ' ' GLY . 91.7 m-20 -36.86 -77.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.549 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 26' ' ' TYR . 17.2 pttp -160.58 -41.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.412 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' OH ' HG23 ' B' ' 83' ' ' VAL . 0.1 OUTLIER -100.84 17.96 20.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.04 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -129.64 138.23 51.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.452 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.454 HD23 HD12 ' A' ' 33' ' ' LEU . 31.6 tp -134.19 130.54 37.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.243 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.461 ' HG ' ' HG2' ' A' ' 32' ' ' GLU . 32.5 p -69.15 150.79 47.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.33 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HZ3' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -64.95 -43.88 91.26 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.264 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -33.77 66.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.56 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' HG2' ' HG ' ' A' ' 29' ' ' SER . 72.6 mm-40 -80.35 -49.98 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.454 HD12 HD23 ' A' ' 28' ' ' LEU . 7.4 tt -57.59 -34.83 69.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.76 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -52.46 -45.18 65.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.482 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.44 ' O ' ' OG1' ' A' ' 39' ' ' THR . 74.5 mm-40 -79.37 -27.25 41.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.444 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.679 HD13 ' CD2' ' A' ' 18' ' ' HIS . 42.1 tp -59.25 -54.76 43.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.914 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.0 pp -50.49 -47.77 57.06 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.093 -0.243 . . . . 0.0 111.387 -178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.654 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.0 pt20 -74.66 -25.85 59.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.783 0.325 . . . . 0.0 111.058 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 58.5 m -68.06 -38.77 82.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.284 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.439 ' OE1' ' CB ' ' B' ' 4' ' ' LEU . 64.7 mm-40 -92.85 -26.53 17.62 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.321 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.56 46.14 1.79 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.717 0.294 . . . . 0.0 110.489 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 t -68.38 -28.77 67.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.16 -53.29 9.3 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.402 ' C ' ' H ' ' A' ' 46' ' ' ASP . 23.3 m-85 -45.82 -66.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.712 0.291 . . . . 0.0 110.977 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.06 -9.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.851 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 44' ' ' PHE . 16.1 t70 -104.97 -14.8 15.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.649 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.74 -2.88 19.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.68 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.586 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.2 pp0? -103.77 138.98 39.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.557 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -98.53 -16.05 19.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.586 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 40.4 m-20 -61.16 99.38 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.498 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 71.1 t -76.75 -34.88 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.683 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -69.54 -34.68 74.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.762 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.58 -51.6 64.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.749 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.3 p -70.71 -31.97 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.63 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -55.14 -48.11 74.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.552 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.41 -34.82 79.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.566 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.521 HG11 HD21 ' A' ' 81' ' ' LEU . 92.2 t -75.62 -30.6 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.587 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 29.7 ttp -71.82 -51.49 22.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.474 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.4 pttt -63.12 -31.51 72.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.555 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -55.91 -35.06 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.589 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.524 HD23 ' HZ3' ' A' ' 30' ' ' LYS . 22.6 mt -64.76 -35.97 82.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -74.82 -27.57 60.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.652 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -72.01 -34.39 68.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.428 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -94.02 51.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.53 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.455 ' C ' ' N ' ' A' ' 67' ' ' GLY . . . -81.79 8.73 58.84 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -47.65 -16.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.811 0.339 . . . . 0.0 110.583 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.455 ' N ' ' C ' ' A' ' 65' ' ' GLY . . . 99.67 -12.04 61.16 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -150.46 132.04 14.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.041 0.448 . . . . 0.0 110.412 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.466 HG22 ' HD2' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -93.13 -154.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.414 0.626 . . . . 0.0 111.302 -179.735 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.463 ' H ' HG12 ' A' ' 69' ' ' VAL . 48.9 m-20 -145.25 133.19 21.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.549 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -48.13 -47.55 34.59 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.565 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -51.47 -37.71 50.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.379 . . . . 0.0 110.082 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -75.69 -30.51 59.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.576 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.708 ' O ' HG13 ' A' ' 78' ' ' VAL . 49.4 t80 -63.33 -40.21 96.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.51 -30.15 21.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.8 -39.57 31.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 pp -78.35 -34.45 48.42 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.139 -0.625 . . . . 0.0 111.933 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 74' ' ' TYR . 27.1 m -62.26 -41.83 92.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.408 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.468 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -72.01 -38.29 69.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.704 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.27 -24.21 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.517 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.521 HD21 HG11 ' A' ' 57' ' ' VAL . 54.9 mt -75.88 -36.36 59.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.647 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 85' ' ' CYS . 50.2 m -72.33 -55.73 6.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 -179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.454 HG23 ' OH ' ' B' ' 26' ' ' TYR . 5.1 p -48.33 -25.82 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.364 . . . . 0.0 110.505 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.21 -30.89 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.505 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 82' ' ' THR . 25.6 t -73.43 -50.05 23.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.643 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 88' ' ' PHE . 1.3 m120 -53.45 -35.92 61.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.489 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -46.01 -14.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 86' ' ' ASN . 53.8 t80 -67.3 -34.95 78.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.509 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -54.47 -16.73 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.671 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.46 ' O ' ' O ' ' A' ' 91' ' ' GLU . 22.0 m95 -69.73 -44.67 69.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.632 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 90' ' ' TRP . 50.7 tt0 44.8 98.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.561 ' C ' HD22 ' A' ' 92' ' ' ASN . 0.4 OUTLIER -80.35 174.21 11.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.445 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.545 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.774 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t -78.19 146.49 34.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.842 0.353 . . . . 0.0 110.604 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.48 -33.14 73.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.585 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -63.4 -48.77 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.416 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -69.05 -31.71 70.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.361 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 27.0 m -69.46 -36.12 76.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.672 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.47 -42.49 74.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.71 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.8 mmm -67.04 -39.96 87.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.384 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -54.1 -34.45 60.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.623 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.472 HG22 HD22 ' A' ' 4' ' ' LEU . 19.0 m -60.0 -39.13 84.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.747 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.624 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.6 mm? -63.79 -31.46 72.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.535 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.4 mm -71.04 -40.3 75.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -59.98 -55.42 34.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.59 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.508 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.3 p -60.43 -43.45 94.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.508 ' N ' HG13 ' B' ' 14' ' ' VAL . 65.8 t80 -55.42 -38.78 69.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.641 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -84.61 -17.95 37.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.548 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.93 -37.18 64.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.683 ' CD2' HD13 ' B' ' 36' ' ' LEU . 40.2 m-70 -90.2 -9.51 47.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.635 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.1 m -77.47 6.57 6.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.547 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.01 -6.14 62.02 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -73.43 -74.6 0.17 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.794 0.33 . . . . 0.0 110.613 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -136.68 64.38 1.55 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.41 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' B' ' 24' ' ' ASP . . . -168.66 135.03 3.43 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' B' ' 23' ' ' GLY . 92.0 m-20 -36.93 -76.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.601 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.429 ' CG ' ' N ' ' B' ' 26' ' ' TYR . 17.3 pttp -160.59 -41.17 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.361 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.454 ' OH ' HG23 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -100.73 17.78 21.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.049 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -129.52 138.27 51.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.467 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.462 HD23 HD12 ' B' ' 33' ' ' LEU . 31.9 tp -134.17 130.53 37.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.213 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.472 ' HG ' ' HG2' ' B' ' 32' ' ' GLU . 32.7 p -69.24 150.81 47.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.363 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.586 ' HZ3' HD23 ' B' ' 61' ' ' LEU . 0.1 OUTLIER -64.92 -43.8 91.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.286 179.717 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -33.78 66.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.524 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.472 ' HG2' ' HG ' ' B' ' 29' ' ' SER . 72.5 mm-40 -80.32 -50.01 10.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.462 HD12 HD23 ' B' ' 28' ' ' LEU . 7.3 tt -57.5 -34.9 69.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.792 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -52.45 -45.09 65.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -79.37 -27.38 41.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.371 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.683 HD13 ' CD2' ' B' ' 18' ' ' HIS . 41.9 tp -59.02 -54.86 42.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -178.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.644 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.0 pp -50.53 -47.71 57.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.418 -178.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.644 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.0 pt20 -74.79 -25.61 59.17 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.007 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 57.7 m -68.16 -38.9 82.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.201 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.443 ' OE1' ' CB ' ' A' ' 4' ' ' LEU . 65.1 mm-40 -92.73 -26.58 17.69 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.365 -179.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.68 46.22 1.78 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.703 0.287 . . . . 0.0 110.393 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.5 t -68.4 -29.01 67.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.772 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.93 -53.39 9.52 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.411 ' C ' ' H ' ' B' ' 46' ' ' ASP . 22.9 m-85 -45.94 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.584 0.23 . . . . 0.0 110.909 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 pp -55.11 -9.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.746 0.308 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' B' ' 44' ' ' PHE . 16.1 t70 -104.9 -14.73 15.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.676 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -107.78 -3.09 19.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.637 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.583 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.2 pp0? -103.61 139.05 39.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.574 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -98.73 -15.98 19.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.529 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.583 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 39.3 m-20 -60.99 99.16 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.723 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 71.3 t -76.67 -34.92 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.699 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -69.44 -34.72 74.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.767 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.7 -51.5 64.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.698 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.1 p -70.74 -31.99 47.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.704 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -54.96 -48.27 73.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.525 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -64.33 -34.79 78.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.653 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.516 HG11 HD21 ' B' ' 81' ' ' LEU . 92.2 t -75.6 -30.52 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.647 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 29.6 ttp -71.94 -51.49 21.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.46 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -62.96 -31.61 72.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -55.82 -35.23 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.594 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.586 HD23 ' HZ3' ' B' ' 30' ' ' LYS . 22.2 mt -64.59 -35.98 82.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -74.88 -27.52 60.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.645 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -71.98 -34.59 69.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.426 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -93.9 51.63 1.56 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.523 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.451 ' C ' ' N ' ' B' ' 67' ' ' GLY . . . -81.84 8.63 59.28 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -47.6 -16.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 110.472 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' B' ' 65' ' ' GLY . . . 99.62 -11.78 61.23 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -150.45 132.36 15.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.472 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.452 HG12 ' H ' ' B' ' 70' ' ' ASP . 0.2 OUTLIER -94.81 -154.54 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.952 -179.263 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.452 ' H ' HG12 ' B' ' 69' ' ' VAL . 48.9 m-20 -144.94 133.28 21.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.622 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -48.2 -47.59 35.37 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.484 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -51.4 -37.74 49.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 0.0 110.087 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -75.75 -30.52 59.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.531 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.696 ' O ' HG13 ' B' ' 78' ' ' VAL . 49.6 t80 -63.12 -40.36 97.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.939 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.4 m -75.45 -30.2 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.74 -39.62 31.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 pp -78.25 -34.46 49.07 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.006 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.696 HG13 ' O ' ' B' ' 74' ' ' TYR . 26.9 m -62.2 -41.92 93.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.43 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.472 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -71.91 -38.26 69.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.747 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.27 -24.44 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.511 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.516 HD21 HG11 ' B' ' 57' ' ' VAL . 54.2 mt -75.61 -36.47 60.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 50.8 m -72.22 -55.83 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.458 HG23 ' OH ' ' A' ' 26' ' ' TYR . 5.1 p -48.35 -25.76 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.55 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.26 -30.86 65.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.465 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.5 t -73.44 -50.13 23.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.576 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' B' ' 88' ' ' PHE . 1.3 m120 -53.44 -35.83 60.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -46.07 -14.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.512 ' N ' ' O ' ' B' ' 86' ' ' ASN . 53.8 t80 -67.44 -34.91 78.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.499 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -54.49 -16.61 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.718 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.457 ' O ' ' O ' ' B' ' 91' ' ' GLU . 22.2 m95 -69.91 -44.51 69.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.553 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.457 ' O ' ' O ' ' B' ' 90' ' ' TRP . 50.7 tt0 44.76 98.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.629 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.56 HD22 ' C ' ' B' ' 92' ' ' ASN . 0.4 OUTLIER -80.38 174.16 11.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.52 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.635 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.62 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -76.71 154.92 33.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.748 0.308 . . . . 0.0 110.626 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.18 -34.91 74.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.787 ' C ' HD13 ' A' ' 4' ' ' LEU . 2.8 tm? -58.47 -47.99 82.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.147 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.7 -32.55 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.1 m -66.64 -36.32 82.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.67 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.43 -43.46 75.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.5 mmm -67.96 -38.03 82.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.596 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -54.3 -36.32 63.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.8 m -59.64 -43.59 93.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.79 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -56.55 -31.1 63.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.384 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.2 mm -70.63 -44.69 76.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.694 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -60.83 -55.69 30.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.518 HG13 ' N ' ' A' ' 15' ' ' PHE . 10.5 p -58.52 -43.03 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.518 ' N ' HG13 ' A' ' 14' ' ' VAL . 85.5 t80 -60.48 -38.65 84.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -71.03 -56.0 7.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.756 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.13 -46.58 11.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.032 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.529 ' CD2' HD13 ' A' ' 36' ' ' LEU . 63.4 m-70 -72.58 -34.81 67.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.732 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 68.1 m -65.04 -16.91 63.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.538 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.26 2.35 7.34 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -76.82 -106.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.749 0.309 . . . . 0.0 110.515 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -79.85 -35.13 38.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.613 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.14 151.38 51.57 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.432 ' H ' ' HE2' ' A' ' 27' ' ' LYS . 60.2 t0 -61.86 -52.31 64.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.698 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.4 pttt -170.27 -45.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.531 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.19 26.95 8.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.199 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HE2' ' H ' ' A' ' 24' ' ' ASP . 36.6 mtmt -131.8 139.84 49.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.252 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 tp -129.91 114.74 16.24 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.455 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.431 ' OG ' ' CG ' ' A' ' 32' ' ' GLU . 61.6 p -57.3 158.1 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.361 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' NZ ' ' CG1' ' A' ' 69' ' ' VAL . 0.3 OUTLIER -68.81 -48.07 64.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.687 179.708 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.09 -46.98 82.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.888 -179.561 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' CG ' ' OG ' ' A' ' 29' ' ' SER . 30.0 mm-40 -63.94 -40.27 96.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.866 0.365 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.787 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.7 tm? -60.33 -44.73 95.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.287 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -52.59 -45.06 66.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.733 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -78.64 -27.11 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.311 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.529 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.9 tp -58.52 -56.29 24.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.916 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.3 pp -50.87 -50.4 57.13 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.463 -178.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.7 ' N ' HD12 ' A' ' 37' ' ' LEU . 3.4 pt20 -68.37 -25.54 65.13 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.802 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.8 m -73.7 -38.79 64.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.249 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -93.78 -27.18 16.62 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.507 -179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.69 46.32 1.95 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.843 0.354 . . . . 0.0 110.541 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -68.55 -27.3 65.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.805 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.79 -49.59 10.24 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.415 ' C ' ' H ' ' A' ' 46' ' ' ASP . 14.7 m-85 -50.65 -63.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.953 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 pp -55.53 -8.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.983 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 44' ' ' PHE . 45.8 m-20 -105.44 -11.35 16.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.631 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.34 -2.66 14.74 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.954 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.587 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 4.5 pp0? -94.98 150.24 20.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.659 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.5 mttp -116.76 -1.5 12.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.537 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.587 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 56.5 m-20 -81.18 105.79 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.9 t -78.91 -24.91 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.593 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -74.6 -33.49 62.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.623 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.73 -51.61 53.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.725 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.3 p -65.64 -32.49 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.667 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -58.08 -45.8 86.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.606 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -66.26 -34.44 78.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.507 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.413 HG11 HD21 ' A' ' 81' ' ' LEU . 93.8 t -76.81 -30.67 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.711 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 27.0 ttm -70.91 -49.73 42.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.407 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -64.92 -31.74 73.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -53.65 -33.77 56.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.636 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.42 -39.11 92.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.599 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -72.12 -27.47 62.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.792 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -71.07 -36.89 72.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.456 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.536 ' C ' ' H ' ' A' ' 66' ' ' ASP . 2.5 m-80 -93.86 28.43 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.681 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -55.44 -2.62 0.29 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' A' ' 64' ' ' ASN . 47.4 t0 -41.34 -18.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.801 0.334 . . . . 0.0 110.579 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.569 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 97.6 -1.2 59.94 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -162.89 132.23 4.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.379 . . . . 0.0 110.604 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.423 ' CG1' ' NZ ' ' A' ' 30' ' ' LYS . 20.9 m -92.43 -171.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.991 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -126.72 154.5 44.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.114 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -52.35 -48.16 65.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.691 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -57.85 -33.43 68.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.661 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 77' ' ' LEU . 75.2 mm-40 -74.54 -30.95 61.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.65 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.2 t80 -70.08 -41.5 74.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.127 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.0 m -75.26 -27.96 20.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.67 -39.54 32.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.7 pp -78.44 -35.1 47.34 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.145 -0.622 . . . . 0.0 112.189 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 74' ' ' TYR . 31.0 m -58.51 -41.04 80.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.393 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.449 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -75.38 -36.77 60.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.694 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.28 -30.36 27.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.529 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.413 HD21 HG11 ' A' ' 57' ' ' VAL . 81.9 mt -74.88 -38.94 61.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.533 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.8 m -64.95 -54.41 31.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.696 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.3 p -53.65 -32.47 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.539 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.57 38.8 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.659 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.5 t -154.08 -54.59 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.549 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -57.34 -30.47 64.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.444 ' O ' ' O ' ' A' ' 90' ' ' TRP . 43.6 t-20 -48.8 -30.44 5.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -51.9 -42.19 62.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.62 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -57.06 -42.44 80.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.547 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.444 ' O ' ' O ' ' A' ' 87' ' ' ASN . 17.5 m95 -94.18 150.46 20.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.627 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -92.47 174.77 7.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.534 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -74.66 151.17 39.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.627 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.543 179.898 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t -76.65 154.78 33.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.831 0.348 . . . . 0.0 110.639 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.14 -34.87 74.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.573 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.795 HD13 ' C ' ' B' ' 4' ' ' LEU . 2.8 tm? -58.45 -48.02 82.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.134 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.65 -32.62 72.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.1 m -66.71 -36.27 82.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.53 -43.33 75.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.647 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 52.8 mmm -68.08 -37.87 81.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.574 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -54.36 -36.36 63.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.9 m -59.6 -43.68 93.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.705 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.553 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.8 mm? -56.44 -31.17 63.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 12.8 mm -70.47 -44.79 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.761 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -60.74 -55.63 30.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.025 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.521 HG13 ' N ' ' B' ' 15' ' ' PHE . 10.5 p -58.7 -42.94 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.753 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.521 ' N ' HG13 ' B' ' 14' ' ' VAL . 86.2 t80 -60.59 -38.57 85.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.588 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -71.04 -56.02 7.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.765 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.11 -46.5 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.017 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.535 ' CD2' HD13 ' B' ' 36' ' ' LEU . 62.8 m-70 -72.75 -34.7 67.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.747 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 68.3 m -65.09 -16.84 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.566 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.21 2.32 7.29 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -76.77 -106.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.786 0.327 . . . . 0.0 110.487 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -79.91 -35.19 38.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.539 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.2 151.41 51.59 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.421 ' H ' ' HE2' ' B' ' 27' ' ' LYS . 60.3 t0 -61.86 -52.41 64.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.593 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -170.19 -45.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.661 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.19 27.0 8.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.133 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.421 ' HE2' ' H ' ' B' ' 24' ' ' ASP . 36.6 mtmt -131.74 139.8 49.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.317 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.4 tp -129.92 114.84 16.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.328 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.433 ' OG ' ' CG ' ' B' ' 32' ' ' GLU . 61.5 p -57.5 158.09 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.366 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.424 ' HZ2' HG12 ' B' ' 69' ' ' VAL . 0.2 OUTLIER -68.79 -48.05 64.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.599 179.86 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.492 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.1 -46.98 82.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.885 -179.515 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.433 ' CG ' ' OG ' ' B' ' 29' ' ' SER . 30.0 mm-40 -63.88 -40.38 96.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.928 0.394 . . . . 0.0 110.439 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.778 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.7 tm? -60.22 -44.91 94.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.314 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -52.51 -44.97 66.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.668 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -78.79 -27.08 44.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.237 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.535 HD13 ' CD2' ' B' ' 18' ' ' HIS . 21.1 tp -58.45 -56.26 24.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.935 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.692 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.3 pp -50.78 -50.46 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.518 -178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.692 ' N ' HD12 ' B' ' 37' ' ' LEU . 3.4 pt20 -68.47 -25.48 65.0 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.746 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 74.3 m -73.67 -38.9 64.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.198 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -93.78 -27.14 16.64 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.51 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.72 46.13 2.0 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.517 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t -68.32 -27.34 66.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.94 -49.49 9.85 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.419 ' C ' ' H ' ' B' ' 46' ' ' ASP . 14.4 m-85 -50.63 -63.57 1.08 Allowed 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.833 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -55.51 -8.32 0.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.021 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' B' ' 44' ' ' PHE . 45.9 m-20 -105.54 -11.32 16.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.636 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.38 -2.67 14.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.965 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.578 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 4.5 pp0? -94.95 150.37 20.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.732 0.301 . . . . 0.0 110.677 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -116.9 -1.32 12.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.578 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 56.7 m-20 -81.22 105.88 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.551 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 76.0 t -79.03 -24.94 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.61 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -74.48 -33.44 62.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.82 -51.65 53.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.698 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.2 p -65.63 -32.44 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.692 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -58.16 -45.76 86.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.616 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -66.29 -34.25 77.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.707 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.408 HG11 HD21 ' B' ' 81' ' ' LEU . 93.3 t -76.93 -30.64 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.698 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 27.1 ttm -70.92 -49.79 41.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.364 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -64.87 -31.7 73.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -53.76 -33.75 56.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.652 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 50.6 mt -62.5 -38.95 91.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -72.09 -27.58 62.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.789 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -71.03 -36.99 72.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.429 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' B' ' 66' ' ' ASP . 2.5 m-80 -93.72 28.34 2.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.693 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -55.47 -2.54 0.29 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' B' ' 64' ' ' ASN . 47.2 t0 -41.37 -18.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.629 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.569 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 97.47 -0.87 59.97 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -162.99 132.41 4.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.693 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.424 HG12 ' HZ2' ' B' ' 30' ' ' LYS . 19.3 m -93.72 -171.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.785 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -126.45 154.74 43.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.12 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -52.64 -47.94 66.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.729 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -57.91 -33.36 68.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.422 ' O ' HD23 ' B' ' 77' ' ' LEU . 75.2 mm-40 -74.55 -30.85 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.662 ' O ' HG13 ' B' ' 78' ' ' VAL . 18.0 t80 -70.25 -41.4 73.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.839 0.352 . . . . 0.0 111.122 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 29.7 m -75.25 -28.04 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.66 -39.7 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.439 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -78.19 -35.3 48.78 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.113 -0.635 . . . . 0.0 112.183 -178.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.662 HG13 ' O ' ' B' ' 74' ' ' TYR . 31.1 m -58.38 -41.12 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.484 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.449 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -75.27 -36.7 61.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.36 -30.31 28.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.493 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.408 HD21 HG11 ' B' ' 57' ' ' VAL . 82.6 mt -74.87 -38.85 61.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.548 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 99.0 m -65.07 -54.52 28.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.598 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 6.3 p -53.64 -32.34 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.536 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.61 38.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.648 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 3.5 t -154.01 -54.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -57.28 -30.41 64.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.715 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.439 ' O ' ' O ' ' B' ' 90' ' ' TRP . 43.3 t-20 -48.76 -30.58 5.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.644 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -51.74 -42.33 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.671 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -56.86 -42.49 79.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.625 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.439 ' O ' ' O ' ' B' ' 87' ' ' ASN . 17.6 m95 -94.22 150.38 20.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -92.38 174.76 7.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.55 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -74.68 151.28 39.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.647 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.575 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -62.15 162.49 9.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.797 0.332 . . . . 0.0 110.562 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -56.78 -35.86 69.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.556 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.605 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -66.33 -48.59 69.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.388 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.16 -31.53 69.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.38 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 55.8 m -69.49 -34.93 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.795 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.58 76.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.619 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.4 mmm -65.4 -40.63 93.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.496 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -54.08 -34.22 59.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.651 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.1 m -59.68 -40.08 86.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.648 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.636 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.5 mm? -66.26 -31.49 72.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.501 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.435 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 23.4 mm -68.18 -43.79 84.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -59.98 -55.75 30.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.015 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.3 p -62.29 -40.97 89.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.808 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.489 ' N ' HG13 ' A' ' 14' ' ' VAL . 83.4 t80 -58.37 -40.16 81.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.621 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -82.74 -18.34 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.35 -40.47 67.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.72 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.588 ' CD2' HD13 ' A' ' 36' ' ' LEU . 79.1 m-70 -87.45 -12.23 46.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.775 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.1 m -72.21 -13.81 61.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.545 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.45 -6.38 88.69 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -61.13 -48.39 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 110.528 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -167.73 38.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.454 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -131.95 158.55 22.93 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.35 -62.59 1.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.867 0.365 . . . . 0.0 110.396 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 26' ' ' TYR . 17.9 pttp -175.26 -41.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.25 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.512 ' OH ' HG23 ' B' ' 83' ' ' VAL . 0.1 OUTLIER -95.68 -15.77 22.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.0 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -90.8 148.32 22.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.694 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.5 tp -137.03 110.53 7.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.281 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -52.08 143.78 13.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.285 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.54 ' HZ3' ' HA ' ' A' ' 61' ' ' LEU . 12.6 tptt -68.87 -29.87 68.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.199 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.49 -45.84 80.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.389 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -80.54 -28.52 37.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.964 0.411 . . . . 0.0 110.614 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.679 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.2 tm? -55.28 -56.27 21.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.812 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' CG ' ' N ' ' A' ' 35' ' ' GLU . 15.8 ptmt -52.27 -39.05 59.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.97 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.462 ' O ' ' OG1' ' A' ' 39' ' ' THR . 94.6 mt-10 -79.33 -27.66 42.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.829 0.347 . . . . 0.0 111.014 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.588 HD13 ' CD2' ' A' ' 18' ' ' HIS . 22.1 tp -64.76 -56.15 15.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.675 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.68 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -51.06 -48.89 61.46 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.182 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.68 ' N ' HD12 ' A' ' 37' ' ' LEU . 13.3 pt20 -70.08 -25.52 63.56 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.974 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 35' ' ' GLU . 22.2 m -70.76 -40.99 72.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.397 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -93.67 -26.77 16.9 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.432 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.66 46.27 2.04 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.829 0.347 . . . . 0.0 110.529 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -68.65 -34.39 75.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.803 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.48 -50.66 36.21 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.515 ' C ' ' H ' ' A' ' 46' ' ' ASP . 10.2 m-85 -46.11 -67.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.596 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' C ' HD12 ' A' ' 45' ' ' LEU . 3.4 pp -52.0 -6.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.846 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.515 ' H ' ' C ' ' A' ' 44' ' ' PHE . 11.5 t0 -105.6 -26.48 11.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.755 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.07 -3.11 48.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.559 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.9 pp0? -105.74 133.76 49.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 0.0 110.593 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -99.67 -3.22 33.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.625 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.559 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 36.2 m-20 -64.04 105.42 0.86 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.501 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.8 t -80.54 -38.09 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.805 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 35.3 p-10 -70.53 -36.68 73.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.791 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.568 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -65.05 -51.61 60.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.695 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 50' ' ' ASP . 9.1 p -67.29 -34.97 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.619 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -57.54 -40.84 79.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.652 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -64.79 -40.6 95.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.621 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.6 t -77.07 -30.5 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.729 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.0 ttt -68.6 -51.46 42.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.413 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -65.99 -31.48 72.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.61 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -56.57 -31.05 63.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.744 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.54 ' HA ' ' HZ3' ' A' ' 30' ' ' LYS . 91.1 mt -60.39 -32.94 71.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.561 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -75.12 -48.03 25.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.379 . . . . 0.0 110.418 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -52.25 -39.53 60.48 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.55 ' C ' ' H ' ' A' ' 66' ' ' ASP . 2.4 m120 -90.99 22.25 3.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.543 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.48 16.94 0.49 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.55 ' H ' ' C ' ' A' ' 64' ' ' ASN . 22.1 t70 -49.59 -43.23 46.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.497 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.98 -13.98 2.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -174.39 134.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.106 0.479 . . . . 0.0 110.999 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.484 HG21 ' HG ' ' A' ' 33' ' ' LEU . 2.6 m -91.85 -172.7 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.993 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -121.76 162.28 21.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.099 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.435 ' CZ ' ' CD1' ' A' ' 12' ' ' ILE . 31.9 t80 -53.83 -51.77 62.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.906 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -53.91 -35.02 61.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.4 ' O ' HG12 ' A' ' 76' ' ' VAL . 45.9 mt-10 -75.75 -30.82 59.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.329 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.665 ' O ' HG13 ' A' ' 78' ' ' VAL . 28.2 t80 -68.34 -37.09 80.19 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.309 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.8 m -75.14 -27.75 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -76.51 -39.51 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.421 -0.511 . . . . 0.0 112.378 -178.604 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.7 pp -78.33 -35.72 47.26 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.107 -0.637 . . . . 0.0 112.071 -178.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 74' ' ' TYR . 26.8 m -59.24 -42.83 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.556 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.487 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -75.04 -35.1 61.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.711 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.609 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -50.62 -25.99 4.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.592 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 72.9 mt -75.65 -33.49 60.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.804 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.551 ' O ' ' N ' ' A' ' 85' ' ' CYS . 51.6 m -67.0 -51.54 53.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.11 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 80' ' ' ALA . 3.7 p -36.82 -30.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.799 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 82' ' ' THR . . . -67.3 -40.72 86.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.697 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.551 ' N ' ' O ' ' A' ' 82' ' ' THR . 3.8 t -64.42 -50.75 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.526 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -61.78 -29.02 69.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.61 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -49.46 -17.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' N ' ' C ' ' A' ' 86' ' ' ASN . 44.7 t80 -64.76 -34.44 78.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.603 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -55.9 -16.69 5.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.66 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.414 ' N ' ' CD1' ' A' ' 90' ' ' TRP . 22.0 m95 -70.68 141.0 51.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.628 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -159.83 -39.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.545 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.458 ' O ' ' OXT' ' A' ' 93' ' ' SER . 15.1 m120 56.68 51.87 10.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.458 ' OXT' ' O ' ' A' ' 92' ' ' ASN . 18.5 m . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.528 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -62.14 162.45 9.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.703 0.287 . . . . 0.0 110.554 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -56.61 -35.91 68.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.675 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.605 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.3 OUTLIER -66.42 -48.54 69.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.374 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.24 -31.43 68.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.432 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 54.4 m -69.43 -35.0 75.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.769 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.53 76.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 59.4 mmm -65.41 -40.7 93.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.48 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -53.97 -34.37 59.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.639 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 20.0 m -59.65 -39.96 86.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.755 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.646 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.5 mm? -66.17 -31.53 72.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.435 ' CD1' ' CZ ' ' B' ' 71' ' ' PHE . 22.9 mm -68.14 -43.85 84.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.883 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -60.04 -55.56 32.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.037 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.485 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.3 p -62.47 -40.85 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.718 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.485 ' N ' HG13 ' B' ' 14' ' ' VAL . 83.3 t80 -58.51 -40.06 81.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.658 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -82.8 -18.18 41.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.44 -40.38 67.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.727 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.588 ' CD2' HD13 ' B' ' 36' ' ' LEU . 79.1 m-70 -87.43 -12.37 46.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.812 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 66.4 m -72.05 -13.82 61.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.53 -6.34 88.69 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -61.02 -48.55 81.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 110.615 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -167.67 38.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.01 158.63 22.98 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -55.51 -62.4 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.501 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' B' ' 26' ' ' TYR . 17.8 pttp -175.3 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.373 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.505 ' OH ' HG23 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -95.68 -15.74 22.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.137 179.77 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -90.71 148.49 22.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.668 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 tp -137.22 110.46 7.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.159 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.2 p -51.98 143.72 13.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.277 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.548 ' HZ3' ' HA ' ' B' ' 61' ' ' LEU . 12.7 tptt -68.91 -29.85 68.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.221 179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.489 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.41 -45.9 80.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.435 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -80.55 -28.49 37.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.571 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.679 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.2 tm? -55.32 -56.29 21.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.724 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.422 ' CG ' ' N ' ' B' ' 35' ' ' GLU . 15.7 ptmt -52.29 -38.99 59.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.053 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.433 ' O ' ' OG1' ' B' ' 39' ' ' THR . 94.7 mt-10 -79.49 -27.45 41.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.02 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.588 HD13 ' CD2' ' B' ' 18' ' ' HIS . 22.1 tp -64.78 -56.06 15.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.736 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.677 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.2 pp -51.23 -48.69 62.03 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.237 -179.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.677 ' N ' HD12 ' B' ' 37' ' ' LEU . 13.3 pt20 -70.09 -25.68 63.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 111.0 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' B' ' 35' ' ' GLU . 22.1 m -70.59 -41.13 72.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.403 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -93.66 -26.7 16.94 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.337 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.76 46.38 2.03 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.815 0.34 . . . . 0.0 110.444 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -68.83 -34.36 75.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.54 -50.79 34.96 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.532 ' C ' ' H ' ' B' ' 46' ' ' ASP . 10.2 m-85 -45.98 -67.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 110.628 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.412 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.5 pp -52.11 -6.26 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.894 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.532 ' H ' ' C ' ' B' ' 44' ' ' PHE . 11.5 t0 -105.75 -26.44 11.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.658 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.24 -2.86 48.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.554 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.9 pp0? -105.57 133.76 49.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.683 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -99.73 -3.23 33.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.574 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.554 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 36.2 m-20 -64.04 105.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.459 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 70.4 t -80.52 -38.13 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.746 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 35.3 p-10 -70.56 -36.59 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.576 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -65.21 -51.49 60.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.745 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.407 HG12 ' O ' ' B' ' 50' ' ' ASP . 9.2 p -67.18 -35.07 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.67 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -57.43 -40.9 79.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -64.98 -40.39 94.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.628 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 92.5 t -77.1 -30.49 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.9 ttt -68.68 -51.4 42.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.393 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -65.94 -31.55 72.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -56.6 -31.08 63.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.741 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.548 ' HA ' ' HZ3' ' B' ' 30' ' ' LYS . 90.7 mt -60.23 -33.0 71.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.676 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -75.12 -48.07 25.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.406 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -52.31 -39.56 60.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.49 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.545 ' C ' ' H ' ' B' ' 66' ' ' ASP . 2.4 m120 -91.04 22.51 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.461 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.63 16.94 0.51 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' B' ' 64' ' ' ASN . 22.0 t70 -49.53 -43.21 45.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.52 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 142.97 -14.03 2.37 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -174.32 134.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.983 0.42 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.48 HG13 ' HD2' ' B' ' 30' ' ' LYS . 2.6 m -93.01 -172.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.787 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -121.48 162.3 20.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.197 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.435 ' CZ ' ' CD1' ' B' ' 12' ' ' ILE . 31.5 t80 -53.82 -51.76 62.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.837 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -53.91 -35.06 61.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -75.77 -31.02 59.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.264 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.676 ' O ' HG13 ' B' ' 78' ' ' VAL . 28.2 t80 -68.18 -37.15 80.66 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.278 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 30.7 m -75.05 -27.93 20.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -76.49 -39.44 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.409 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.7 pp -78.34 -35.74 47.13 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.224 -0.591 . . . . 0.0 112.094 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.676 HG13 ' O ' ' B' ' 74' ' ' TYR . 26.8 m -59.44 -42.48 87.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.65 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.487 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -75.22 -35.11 61.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.702 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.618 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -50.52 -26.02 4.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.658 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.1 mt -75.71 -33.27 60.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.572 ' O ' ' N ' ' B' ' 85' ' ' CYS . 52.5 m -67.14 -51.54 52.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.618 HG12 ' O ' ' B' ' 80' ' ' ALA . 3.6 p -36.59 -31.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.772 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' B' ' 82' ' ' THR . . . -67.24 -40.64 86.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.716 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.572 ' N ' ' O ' ' B' ' 82' ' ' THR . 3.7 t -64.57 -50.65 66.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.551 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.545 ' ND2' ' N ' ' B' ' 86' ' ' ASN . 0.8 OUTLIER -61.97 -28.76 69.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.576 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -49.59 -17.85 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.643 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.403 ' N ' ' C ' ' B' ' 86' ' ' ASN . 44.6 t80 -64.81 -34.31 78.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -55.9 -16.8 5.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.618 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.412 ' N ' ' CD1' ' B' ' 90' ' ' TRP . 21.8 m95 -70.67 141.14 51.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -159.99 -39.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.585 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.471 ' O ' ' OXT' ' B' ' 93' ' ' SER . 15.2 m120 56.71 51.85 10.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.507 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.471 ' OXT' ' O ' ' B' ' 92' ' ' ASN . 18.6 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.65 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.631 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -63.3 160.02 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 0.0 110.453 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -57.22 -38.7 74.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 4' ' ' LEU . 1.8 tt -58.73 -48.83 79.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.302 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.49 -32.26 72.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.331 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -69.24 -35.09 75.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.596 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.63 -44.15 76.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.363 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 54.8 mmm -66.72 -36.36 82.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.474 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 17.7 tt0 -57.14 -34.5 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.723 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.2 m -60.3 -41.6 93.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.592 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -60.63 -31.21 70.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.557 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -68.9 -42.8 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 11.4 m-80 -59.97 -55.59 32.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.016 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 15' ' ' PHE . 14.6 p -63.17 -39.04 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.734 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.457 ' O ' ' OG ' ' A' ' 19' ' ' SER . 85.0 t80 -55.14 -42.7 73.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.656 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -80.17 -39.62 28.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.779 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.71 -41.43 43.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.025 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.401 ' CE1' HD13 ' A' ' 36' ' ' LEU . 29.6 m-70 -87.86 -11.12 48.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.826 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 49.7 m -71.6 -23.71 61.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.653 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.57 -2.64 64.46 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -69.05 -54.43 15.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.819 0.343 . . . . 0.0 110.585 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -129.28 -44.66 1.25 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.436 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.4 172.9 41.01 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -90.05 -55.03 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.714 0.292 . . . . 0.0 110.718 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 27' ' ' LYS . 44.1 mttm -140.23 -89.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.659 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -76.78 17.21 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.521 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 25' ' ' LYS . 20.5 mtpp -109.35 132.63 53.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.607 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 tp -140.76 115.45 9.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.401 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 p -61.46 154.65 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.409 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HD2' HG13 ' A' ' 69' ' ' VAL . 7.2 tptt -68.56 -35.45 77.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.296 179.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' H ' ' HD2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.02 -43.41 81.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.115 -179.323 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -79.03 -28.65 43.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.799 0.333 . . . . 0.0 110.998 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.732 HD13 ' C ' ' A' ' 33' ' ' LEU . 3.0 tm? -65.33 -55.52 17.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.722 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.19 -40.63 61.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.741 0.305 . . . . 0.0 110.902 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -79.31 -27.31 42.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.061 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.401 HD13 ' CE1' ' A' ' 18' ' ' HIS . 20.3 tp -61.47 -56.24 22.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.909 -179.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.691 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -50.8 -49.88 57.49 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.691 ' N ' HD12 ' A' ' 37' ' ' LEU . 12.0 pt20 -65.04 -25.68 67.93 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.332 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.45 ' C ' ' OE1' ' A' ' 40' ' ' GLU . 25.0 m -74.22 -45.36 48.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.449 -179.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.584 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -87.83 -27.52 22.2 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.524 -178.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mp -116.27 45.03 1.85 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.842 0.353 . . . . 0.0 110.286 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 p -68.22 -27.87 66.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.014 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.25 -48.58 10.74 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.422 ' C ' ' H ' ' A' ' 46' ' ' ASP . 10.0 m-85 -50.26 -65.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.823 -179.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.24 -9.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.804 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 44' ' ' PHE . 15.2 t70 -102.24 -17.9 15.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.651 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.24 -3.12 29.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.797 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' C ' ' CD ' ' A' ' 48' ' ' GLN . 4.4 pp0? -103.61 136.46 43.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.666 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -98.0 -24.9 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.445 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -51.43 103.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.721 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.99 -35.08 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.594 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -70.24 -36.96 74.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.657 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.45 69.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.676 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.45 -31.91 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -59.51 -46.14 89.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.565 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.84 -37.77 88.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.561 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.5 t -75.0 -30.41 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.649 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.6 ttt -71.05 -50.39 34.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.387 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -65.63 -31.76 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -54.06 -30.65 48.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.502 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.3 mt -63.44 -39.86 95.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.402 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -69.83 -27.53 64.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.645 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.56 -40.34 76.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.579 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.554 ' C ' ' H ' ' A' ' 66' ' ' ASP . 8.8 m120 -92.1 32.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 0.0 110.764 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.588 ' O ' ' N ' ' A' ' 67' ' ' GLY . . . -58.15 1.12 0.27 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.554 ' H ' ' C ' ' A' ' 64' ' ' ASN . 24.2 t70 -39.14 -21.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.819 0.342 . . . . 0.0 110.595 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 65' ' ' GLY . . . 97.9 3.54 58.06 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -169.11 131.95 1.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.064 0.459 . . . . 0.0 110.865 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.64 HG11 ' HG ' ' A' ' 33' ' ' LEU . 15.6 m -92.59 -172.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.874 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -129.96 153.77 48.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.708 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -48.5 -50.41 31.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.852 0.358 . . . . 0.0 110.67 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -57.58 -33.72 68.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -75.31 -30.54 60.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.668 ' O ' HG22 ' A' ' 78' ' ' VAL . 16.7 t80 -69.74 -41.49 75.19 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.952 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.9 m -75.04 -27.6 20.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.86 -38.43 36.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.8 pp -78.12 -44.11 27.04 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.755 -179.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.668 HG22 ' O ' ' A' ' 74' ' ' TYR . 17.0 m -58.62 -34.93 52.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.144 -0.622 . . . . 0.0 110.319 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.2 -34.26 61.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.625 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.35 -27.26 65.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.655 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.0 mt -75.44 -31.16 60.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.617 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 91.4 m -68.39 -55.35 12.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -52.92 -20.95 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.78 25.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 19.5 t -146.57 -54.22 0.25 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.617 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -52.59 -36.23 55.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.753 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -46.72 -24.31 0.54 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.669 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -56.72 -45.7 81.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.666 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -58.19 -47.12 84.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.726 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -82.28 158.58 23.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.495 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 50.48 85.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.462 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.426 ' C ' ' OD1' ' A' ' 92' ' ' ASN . 30.9 p30 -137.98 30.53 2.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.474 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.936 -1.03 . . . . 0.0 110.611 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.4 m -63.34 160.01 16.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.342 . . . . 0.0 110.471 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -57.21 -38.74 74.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.641 HD23 ' O ' ' B' ' 4' ' ' LEU . 1.8 tt -58.77 -48.68 80.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.382 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.54 -32.29 72.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.232 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 29.6 m -69.25 -35.2 75.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.44 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.91 76.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.457 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 55.2 mmm -66.81 -36.41 82.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 17.6 tt0 -57.11 -34.35 68.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.77 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 28.1 m -60.45 -41.71 94.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.609 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.8 mm? -60.51 -31.24 70.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.668 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 15.3 mm -68.81 -42.87 82.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.784 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 11.3 m-80 -59.93 -55.58 32.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.005 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.468 HG13 ' N ' ' B' ' 15' ' ' PHE . 14.6 p -63.22 -39.17 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.468 ' N ' HG13 ' B' ' 14' ' ' VAL . 84.8 t80 -55.12 -42.57 73.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.667 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -80.44 -39.57 27.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.622 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.55 -41.36 41.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.157 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -87.89 -11.23 48.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.832 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 49.3 m -71.57 -23.87 61.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 0.0 110.489 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.39 -2.66 63.84 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -69.1 -54.38 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.361 . . . . 0.0 110.636 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -129.34 -44.53 1.25 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.42 172.99 40.91 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -90.08 -55.09 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 110.735 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.413 ' C ' ' H ' ' B' ' 27' ' ' LYS . 44.1 mttm -140.31 -89.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.628 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -76.64 17.08 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' B' ' 25' ' ' LYS . 20.6 mtpp -109.3 132.62 53.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.589 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 tp -140.74 115.36 9.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.429 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.3 p -61.51 154.71 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.492 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.405 ' HD2' HG13 ' B' ' 69' ' ' VAL . 7.2 tptt -68.74 -35.23 76.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.342 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.484 ' HD2' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -57.22 -43.18 82.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.163 -179.375 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -79.19 -28.45 42.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.937 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.731 ' C ' HD13 ' B' ' 33' ' ' LEU . 3.0 tm? -65.34 -55.6 17.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.692 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.13 -40.78 61.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.838 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -79.13 -27.37 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.02 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 20.2 tp -61.59 -56.27 21.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.797 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.704 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.2 pp -50.86 -49.66 58.54 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.704 ' N ' HD12 ' B' ' 37' ' ' LEU . 12.0 pt20 -65.24 -25.51 67.71 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.348 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.449 ' C ' ' OE1' ' B' ' 40' ' ' GLU . 24.8 m -74.21 -45.32 49.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.482 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.576 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 0.0 OUTLIER -87.88 -27.6 22.1 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.555 -178.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 mp -116.16 45.22 1.8 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.728 0.299 . . . . 0.0 110.3 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 26.6 p -68.37 -27.86 66.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.992 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.21 -48.54 10.86 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.42 ' C ' ' H ' ' B' ' 46' ' ' ASP . 10.1 m-85 -50.26 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.581 0.229 . . . . 0.0 110.803 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 pp -54.27 -9.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.789 0.328 . . . . 0.0 110.802 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' B' ' 44' ' ' PHE . 15.2 t70 -102.15 -17.87 15.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.4 -3.04 29.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.753 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -103.73 136.48 43.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.637 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -97.93 -24.87 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -51.43 103.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.61 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.04 -35.12 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.617 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -70.19 -37.01 75.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.63 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.77 -51.36 70.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.704 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.41 -31.97 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.656 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.5 -46.15 89.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.8 -37.84 88.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.84 -30.56 24.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.701 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 14.7 ttt -70.91 -50.49 34.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.433 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -65.6 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -53.94 -30.73 47.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.452 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.48 -39.85 95.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.354 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -69.77 -27.71 65.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.559 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.48 -40.39 77.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.576 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.52 ' C ' ' H ' ' B' ' 66' ' ' ASP . 8.8 m120 -92.19 32.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.702 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.588 ' O ' ' N ' ' B' ' 67' ' ' GLY . . . -58.16 1.16 0.27 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.52 ' H ' ' C ' ' B' ' 64' ' ' ASN . 24.2 t70 -39.29 -21.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.761 0.315 . . . . 0.0 110.545 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' B' ' 65' ' ' GLY . . . 97.79 3.81 58.1 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -169.18 131.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.084 0.469 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.635 HG11 ' HG ' ' B' ' 33' ' ' LEU . 15.4 m -93.7 -172.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.633 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -129.54 153.95 47.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.796 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -48.62 -50.27 33.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.778 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -57.62 -33.75 68.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -75.25 -30.56 60.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.676 ' O ' HG22 ' B' ' 78' ' ' VAL . 16.8 t80 -69.72 -41.55 75.17 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.995 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.02 -27.6 20.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.87 -38.25 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 120.462 -0.495 . . . . 0.0 112.324 -178.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.639 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.7 pp -78.32 -43.89 26.69 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.021 -0.672 . . . . 0.0 111.807 -179.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.676 HG22 ' O ' ' B' ' 74' ' ' TYR . 16.8 m -58.83 -34.81 53.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.231 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.25 -34.29 61.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.565 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.37 -27.21 65.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.578 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -75.46 -31.26 60.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.522 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 91.8 m -68.29 -55.41 12.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.982 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -52.89 -20.94 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.784 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.82 25.83 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.479 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 19.5 t -146.59 -54.2 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.701 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -52.55 -36.28 55.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.704 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -46.79 -24.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.578 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -56.79 -45.61 82.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.674 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -58.27 -47.13 84.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.693 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -82.22 158.68 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.586 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 50.43 85.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.518 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' B' ' 92' ' ' ASN . 30.8 p30 -137.85 30.57 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.571 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.605 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.435 ' O ' ' OG1' ' A' ' 6' ' ' THR . 70.4 m -97.48 148.06 23.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.735 0.302 . . . . 0.0 110.661 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -64.12 -40.46 96.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -60.95 -48.63 80.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.063 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.46 -32.1 73.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.408 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 2' ' ' SER . 23.1 m -69.36 -35.01 75.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.647 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.54 -47.65 75.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.512 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 57.5 mmm -66.54 -34.61 78.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.467 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.46 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 13.2 tt0 -56.23 -36.27 68.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.632 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.0 m -58.56 -43.02 89.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.8 mm? -59.04 -31.36 68.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.48 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.5 mm -71.12 -43.56 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 35.2 m-80 -60.03 -55.65 31.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.4 p -60.94 -38.93 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.694 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.456 ' N ' HG13 ' A' ' 14' ' ' VAL . 85.1 t80 -57.8 -38.89 76.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.776 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -83.71 -17.96 39.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.747 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.12 61.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.794 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.634 ' CD2' HD13 ' A' ' 36' ' ' LEU . 63.4 m-70 -86.26 -10.49 54.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 75.1 m -76.38 4.26 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.6 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.55 -9.63 59.94 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -71.73 -65.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.713 0.292 . . . . 0.0 110.47 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -139.02 66.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.475 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -167.2 -178.79 39.75 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -97.78 -70.07 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.897 0.38 . . . . 0.0 110.612 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -144.87 -64.55 0.34 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -95.64 14.97 21.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -109.65 138.26 46.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.3 tp -138.56 124.73 20.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.907 0.384 . . . . 0.0 110.255 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.6 p -67.6 147.28 52.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.426 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' A' ' 61' ' ' LEU . 1.2 tppp? -68.81 -38.15 79.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.076 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.708 ' H ' ' CE ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -56.93 -40.0 75.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.426 179.869 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -80.55 -28.4 37.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.981 0.419 . . . . 0.0 110.353 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.712 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.7 tm? -58.93 -55.77 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.757 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.25 -37.18 54.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.868 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -79.19 -27.36 42.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.634 HD13 ' CD2' ' A' ' 18' ' ' HIS . 20.9 tp -64.53 -56.32 14.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.707 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 38' ' ' GLN . 3.2 pp -51.67 -48.83 63.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.642 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.686 ' N ' HD12 ' A' ' 37' ' ' LEU . 11.1 pt20 -68.46 -25.76 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.298 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.5 m -69.51 -40.61 76.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.281 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -93.71 -26.72 16.89 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.099 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.53 44.89 2.26 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.54 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.48 -27.36 66.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.69 -51.58 7.07 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.537 ' C ' ' H ' ' A' ' 46' ' ' ASP . 6.8 m-85 -45.99 -64.29 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.627 0.251 . . . . 0.0 110.903 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.599 ' C ' HD12 ' A' ' 45' ' ' LEU . 3.6 pp -52.93 -4.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.105 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 44' ' ' PHE . 10.9 t0 -101.28 -23.17 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.693 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.77 -3.11 33.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.21 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' A' ' 50' ' ' ASP . 3.3 pp0? -97.11 128.35 43.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.663 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -99.43 -2.31 36.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.562 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.498 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 90.1 m-20 -71.43 104.31 3.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.598 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.8 t -76.92 -31.25 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.569 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -71.87 -37.37 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.646 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.5 -51.56 68.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.701 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.63 -32.32 57.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.581 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -56.48 -43.96 80.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.625 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -65.54 -36.6 84.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.595 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 76.9 t -75.79 -30.69 21.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.1 ttm -72.69 -50.77 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.332 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -63.68 -31.57 72.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.461 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.431 ' HG2' HD22 ' A' ' 64' ' ' ASN . 85.4 tt0 -54.97 -35.95 64.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.598 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.576 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 40.8 mt -61.38 -35.61 77.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.48 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -74.17 -27.53 60.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.654 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -78.34 -40.96 34.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.367 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.53 ' C ' ' HZ2' ' A' ' 30' ' ' LYS . 68.9 m-80 -96.2 34.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.556 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.18 9.09 4.35 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' A' ' 64' ' ' ASN . 48.0 t0 -45.02 -23.8 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.482 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' HA2' ' NZ ' ' A' ' 31' ' ' LYS . . . 109.85 -15.3 31.49 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -149.62 131.77 15.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.905 0.383 . . . . 0.0 110.489 179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 m -92.88 -171.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.88 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -124.8 151.6 44.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.167 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -52.02 -47.4 65.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.655 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.94 -33.75 69.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.676 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -75.55 -30.9 59.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.257 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.678 ' O ' HG13 ' A' ' 78' ' ' VAL . 27.9 t80 -70.07 -39.13 75.8 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.204 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.21 -28.13 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.64 -40.41 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 78' ' ' VAL . 2.6 pp -78.31 -35.83 47.3 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.106 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 74' ' ' TYR . 28.9 m -58.61 -39.54 76.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.491 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -74.25 -39.74 62.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.742 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.78 -28.24 3.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.0 mt -75.39 -35.58 61.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.0 m -67.72 -54.67 17.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.5 p -57.79 -17.09 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.644 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.88 26.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.9 t -148.83 -54.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.589 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -53.91 -40.25 66.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -53.49 -21.17 5.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -55.23 -42.49 73.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.684 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -56.14 -48.48 76.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.626 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -89.64 123.52 33.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.55 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.456 ' OE2' ' OG ' ' A' ' 93' ' ' SER . 83.6 tt0 -153.25 139.29 18.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.514 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -93.05 47.44 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.589 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.456 ' OG ' ' OE2' ' A' ' 91' ' ' GLU . 54.7 p . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.51 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -97.49 148.11 23.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.528 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -64.27 -40.44 95.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.635 ' O ' HD13 ' B' ' 4' ' ' LEU . 0.5 OUTLIER -60.75 -48.68 80.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.228 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.51 -32.09 73.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.414 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 23.3 m -69.37 -34.91 75.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.634 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.61 -47.62 76.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 57.6 mmm -66.61 -34.62 78.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.385 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 13.1 tt0 -56.19 -36.27 68.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.64 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.0 m -58.56 -42.92 89.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.701 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.591 ' N ' HD22 ' B' ' 11' ' ' LEU . 3.8 mm? -59.14 -31.28 68.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.446 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 13.7 mm -71.31 -43.59 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.735 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 34.7 m-80 -59.84 -55.59 32.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.449 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.5 p -61.14 -38.74 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.744 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.449 ' N ' HG13 ' B' ' 14' ' ' VAL . 84.9 t80 -57.83 -39.05 76.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.716 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -83.67 -17.89 39.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.707 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.54 -41.06 61.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.776 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.632 ' CD2' HD13 ' B' ' 36' ' ' LEU . 63.0 m-70 -86.41 -10.4 54.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.835 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 75.4 m -76.37 4.23 9.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.654 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.62 -9.64 59.85 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -71.63 -65.13 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.715 0.293 . . . . 0.0 110.603 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -139.13 66.94 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -167.2 -178.93 39.85 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -97.78 -70.01 0.74 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.794 0.331 . . . . 0.0 110.598 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -144.84 -64.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.574 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -95.72 15.09 21.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -109.82 138.17 46.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.391 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -138.49 124.72 20.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.958 0.408 . . . . 0.0 110.279 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 51.5 p -67.65 147.45 52.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.439 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.624 ' HZ2' ' C ' ' B' ' 64' ' ' ASN . 1.2 tppp? -68.96 -38.09 79.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.046 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.71 ' CE ' ' H ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -56.86 -40.06 75.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 179.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.55 -28.37 37.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.335 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.713 ' C ' HD13 ' B' ' 33' ' ' LEU . 2.7 tm? -59.01 -55.75 31.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.696 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.33 -37.2 55.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.847 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -79.04 -27.47 43.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.632 HD13 ' CD2' ' B' ' 18' ' ' HIS . 21.1 tp -64.46 -56.28 15.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.862 -179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.699 HD12 ' N ' ' B' ' 38' ' ' GLN . 3.2 pp -51.67 -49.0 63.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.527 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.699 ' N ' HD12 ' B' ' 37' ' ' LEU . 11.1 pt20 -68.32 -25.78 65.29 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.232 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 51.7 m -69.53 -40.64 76.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.293 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -93.62 -26.74 16.95 Favored 'General case' 0 C--O 1.233 0.184 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.15 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.53 44.88 2.26 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 110.477 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -27.3 65.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.8 -51.4 7.12 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.538 ' C ' ' H ' ' B' ' 46' ' ' ASP . 6.7 m-85 -46.1 -64.19 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.924 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.606 ' C ' HD12 ' B' ' 45' ' ' LEU . 3.6 pp -53.08 -4.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.995 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.538 ' H ' ' C ' ' B' ' 44' ' ' PHE . 10.9 t0 -101.39 -23.14 14.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.636 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.8 -3.03 33.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.145 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' B' ' 50' ' ' ASP . 3.3 pp0? -97.08 128.29 43.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 110.686 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -99.39 -2.26 36.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.5 ' N ' ' OE1' ' B' ' 48' ' ' GLN . 90.1 m-20 -71.58 104.41 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.6 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.89 -31.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.62 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -71.82 -37.29 70.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.62 -51.44 69.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.668 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.75 -32.28 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -56.42 -44.13 80.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -65.49 -36.58 84.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.586 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 76.8 t -75.82 -30.63 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.583 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.2 ttm -72.65 -50.76 22.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -63.75 -31.6 72.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.458 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.429 ' HG2' HD22 ' B' ' 64' ' ' ASN . 85.6 tt0 -54.85 -36.03 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.578 ' O ' ' NZ ' ' B' ' 30' ' ' LYS . 40.9 mt -61.39 -35.56 77.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.524 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -74.24 -27.46 60.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.625 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -78.32 -40.97 35.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.34 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.624 ' C ' ' HZ2' ' B' ' 30' ' ' LYS . 68.8 m-80 -96.2 34.53 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.523 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.17 8.97 4.43 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' B' ' 64' ' ' ASN . 48.3 t0 -45.19 -23.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.328 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.75 -14.95 31.95 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -149.85 131.61 15.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.925 0.393 . . . . 0.0 110.55 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.402 ' H ' HG22 ' B' ' 69' ' ' VAL . 14.2 m -93.93 -171.99 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.628 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -124.25 151.63 43.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.229 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -52.07 -47.43 65.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.603 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.93 -33.72 69.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.72 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -75.62 -30.8 59.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.262 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' TYR . . . . . 0.671 ' O ' HG13 ' B' ' 78' ' ' VAL . 28.1 t80 -70.1 -39.17 75.68 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.265 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.24 -28.09 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.69 -40.35 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.427 HD12 ' N ' ' B' ' 78' ' ' VAL . 2.6 pp -78.34 -35.79 47.11 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.259 -0.576 . . . . 0.0 112.094 -178.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.671 HG13 ' O ' ' B' ' 74' ' ' TYR . 29.3 m -58.68 -39.43 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.413 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.427 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -74.35 -39.8 62.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.666 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -48.58 -28.4 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 75.9 mt -75.26 -35.55 61.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.564 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.1 m -67.77 -54.71 17.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.777 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.9 -17.01 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.574 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.8 26.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.623 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 6.8 t -148.78 -54.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.587 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -53.9 -40.22 66.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.584 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -53.62 -21.16 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -55.16 -42.54 73.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -56.14 -48.41 76.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.746 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -89.74 123.52 33.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.568 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.457 ' OE2' ' OG ' ' B' ' 93' ' ' SER . 83.5 tt0 -153.15 139.18 18.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.565 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -92.96 47.45 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.457 ' OG ' ' OE2' ' B' ' 91' ' ' GLU . 54.8 p . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.598 -179.93 . . . . . . . . 1 1 . 1 stop_ save_