data_1ddf_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 1ddf _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 201' ' ' MET . . . . . 0.47 ' O ' ' CB ' ' A' ' 202' ' ' GLU . 4.7 mtp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.511 -0.552 . . . . 15.0 109.511 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 201' ' ' MET . 0.0 OUTLIER 88.65 -17.59 0.26 Allowed 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 110.072 -0.344 . . . . 14.67 110.072 -179.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 57.57 169.12 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.07 -1.019 . . . . 11.27 110.676 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 20.0 t -53.13 137.63 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.128 -0.983 . . . . 9.3 109.507 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -118.17 38.14 3.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.22 -0.925 . . . . 8.38 109.749 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 66.09 161.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.368 -0.833 . . . . 6.35 109.632 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -142.82 11.24 1.82 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.312 -0.868 . . . . 7.18 110.893 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.5 51.84 2.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.689 -1.257 . . . . 3.71 109.499 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.11 -29.49 60.6 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.244 -0.91 . . . . 3.36 109.534 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.86 41.62 1.27 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.247 -0.908 . . . . 2.67 109.371 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -54.28 -27.8 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.332 -0.855 . . . . 1.29 109.593 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 55.22 50.17 15.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.167 -0.958 . . . . 2.14 109.35 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' LEU . . . . . . . . . . . . . 11.8 tp -57.3 108.39 0.53 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 1.48 109.536 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 173.8 -35.34 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.388 -0.82 . . . . 1.84 109.437 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -90.37 -24.34 20.84 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.293 -0.879 . . . . 3.56 109.863 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -84.49 -4.59 59.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.035 -1.04 . . . . 2.27 110.549 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' ILE . . . . . . . . . . . . . 11.0 mm -68.17 -33.44 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.625 -1.297 . . . . 1.44 109.419 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 68.6 m -80.95 -54.85 5.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.211 -0.931 . . . . 2.0 109.416 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.25 -21.75 49.57 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.464 -0.772 . . . . 1.14 110.119 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' ILE . . . . . 0.654 ' CG2' ' SD ' ' A' ' 224' ' ' MET . 12.5 mt -79.74 -51.6 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.063 -1.023 . . . . 1.05 109.943 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' ALA . . . . . . . . . . . . . . . -53.09 -25.81 14.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.395 -0.816 . . . . 1.16 110.229 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.33 -46.9 85.84 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.894 -1.282 . . . . 0.61 109.894 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' VAL . . . . . . . . . . . . . 3.9 m -85.98 -19.89 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.159 -1.201 . . . . 1.61 110.463 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' MET . . . . . 0.654 ' SD ' ' CG2' ' A' ' 220' ' ' ILE . 97.4 mtp -79.54 171.95 14.45 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.867 -1.146 . . . . 1.25 109.747 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.16 -179.39 3.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.31 -0.869 . . . . 1.47 109.42 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 27.2 tp -83.13 -39.88 20.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.26 -0.9 . . . . 1.29 109.616 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -32.93 63.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.093 -1.005 . . . . 1.14 108.929 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.49 -56.85 6.98 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.41 -0.806 . . . . 2.12 108.922 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.67 -30.56 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.271 -0.893 . . . . 1.25 109.168 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -58.4 -66.79 0.43 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.354 -0.841 . . . . 2.48 109.332 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' GLY . . . . . . . . . . . . . . . -55.97 -21.65 31.77 Favored Glycine 0 N--CA 1.491 2.35 0 C-N-CA 120.118 -1.039 . . . . 0.34 110.509 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.426 ' CE2' HD22 ' A' ' 262' ' ' LEU . 12.7 t80 -68.69 -71.7 0.21 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.851 -1.381 . . . . 2.17 110.73 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . 0.41 HG11 ' CD2' ' A' ' 232' ' ' PHE . 29.9 m -53.85 -45.77 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.149 -0.969 . . . . 1.07 110.491 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -34.65 70.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.802 -1.186 . . . . 2.61 109.419 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 235' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -95.95 39.21 1.15 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.191 -0.943 . . . . 2.4 109.855 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 236' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.59 26.05 1.62 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.137 -0.977 . . . . 2.16 109.856 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 237' ' ' GLY . . . . . . . . . . . . . . . 71.61 30.0 67.01 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 110.176 -1.169 . . . . 0.69 110.176 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 238' ' ' VAL . . . . . . . . . . . . . 11.9 t -97.68 26.32 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 120.971 -1.311 . . . . 1.16 109.537 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 239' ' ' ASN . . . . . . . . . . . . . 2.9 m120 65.9 125.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.421 -0.799 . . . . 2.28 109.729 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 240' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -76.58 -36.32 57.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.241 -0.912 . . . . 2.49 109.045 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 241' ' ' ALA . . . . . . . . . . . . . . . -63.26 -36.43 83.65 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.339 -0.851 . . . . 1.33 109.009 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 242' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -52.55 64.89 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.363 -0.835 . . . . 2.85 109.163 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 243' ' ' ILE . . . . . 0.405 ' CD1' ' CD2' ' A' ' 261' ' ' LEU . 4.0 mm -61.42 -25.98 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 121.17 -0.956 . . . . 1.07 109.352 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 244' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -58.11 -45.77 86.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.128 -0.983 . . . . 1.89 108.92 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.1 -38.84 82.75 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.321 -0.862 . . . . 1.64 108.916 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 246' ' ' ILE . . . . . . . . . . . . . 49.8 mt -76.81 -4.43 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.39 -0.819 . . . . 1.16 110.118 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 247' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.25 -60.37 1.94 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.797 -1.189 . . . . 1.96 109.688 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 248' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.22 -29.11 68.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.263 -0.898 . . . . 2.26 109.716 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 249' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -56.36 -22.45 31.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 1.36 109.945 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 250' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -156.35 69.95 0.65 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.944 -1.098 . . . . 3.25 109.518 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 251' ' ' VAL . . . . . . . . . . . . . 10.0 t -63.82 -26.14 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.414 -0.804 . . . . 1.92 110.021 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 252' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -134.24 56.12 1.86 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.006 -1.059 . . . . 2.71 110.004 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 253' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -142.47 111.09 6.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.148 -0.97 . . . . 1.25 109.254 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 254' ' ' THR . . . . . . . . . . . . . 4.7 t -116.51 27.21 9.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.182 -0.948 . . . . 1.39 109.919 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 255' ' ' ALA . . . . . . . . . . . . . . . -80.89 -78.98 0.16 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.128 -0.982 . . . . 1.36 109.085 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 256' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -99.75 -17.02 17.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.231 -0.918 . . . . 1.6 109.634 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 257' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -53.09 -29.31 29.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.176 -0.953 . . . . 2.01 109.399 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 258' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -59.32 -50.79 72.64 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.15 -0.969 . . . . 2.0 109.18 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . 21.1 t -75.64 -10.12 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.222 -0.924 . . . . 1.11 110.104 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 260' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -48.65 24.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.721 -1.237 . . . . 2.39 108.398 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 261' ' ' LEU . . . . . 0.405 ' CD2' ' CD1' ' A' ' 243' ' ' ILE . 3.8 mp -69.42 -52.66 24.78 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.5 -0.75 . . . . 1.09 109.384 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.536 HD13 ' SD ' ' A' ' 224' ' ' MET . 6.7 mt -52.42 -51.91 56.66 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.554 -0.716 . . . . 1.05 109.791 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 263' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -38.42 78.85 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.45 -0.781 . . . . 3.26 110.448 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 264' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -58.58 -33.45 69.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.027 -1.046 . . . . 1.93 109.105 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 265' ' ' TRP . . . . . 0.429 ' CH2' ' HB2' ' A' ' 278' ' ' LEU . 14.5 t90 -81.21 -26.15 36.14 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.48 -0.763 . . . . 0.35 109.853 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 266' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -53.49 53.44 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.093 -1.005 . . . . 1.43 109.415 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 267' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -56.75 -28.59 61.43 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.187 -0.945 . . . . 2.23 109.295 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 268' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -62.27 1.76 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.294 -0.879 . . . . 1.44 109.761 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 269' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.46 -88.57 0.15 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.142 -0.973 . . . . 3.11 109.469 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 270' ' ' GLY . . . . . . . . . . . . . . . 51.77 88.34 0.01 OUTLIER Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.862 -1.295 . . . . 2.37 109.862 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 271' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -170.55 -80.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.101 -1.235 . . . . 6.9 109.799 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -141.57 138.66 32.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.109 -0.994 . . . . 6.29 109.575 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 54.19 28.14 8.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.309 -0.87 . . . . 2.93 109.637 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 274' ' ' ALA . . . . . . . . . . . . . . . -62.35 -30.52 71.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.189 -0.945 . . . . 1.27 109.415 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 275' ' ' TYR . . . . . 0.417 ' CE1' HD12 ' A' ' 298' ' ' ILE . 20.2 t80 -63.67 -32.85 74.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.322 -0.861 . . . . 2.06 109.524 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 276' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -67.77 -26.29 66.04 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.326 -0.859 . . . . 1.99 109.674 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 277' ' ' THR . . . . . . . . . . . . . 53.1 m -79.23 -31.11 43.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.972 -1.08 . . . . 1.15 109.095 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 278' ' ' LEU . . . . . 0.429 ' HB2' ' CH2' ' A' ' 265' ' ' TRP . 13.8 tp -70.7 -39.67 73.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -0.868 . . . . 1.12 109.403 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . . . . . . . . . 1.7 mm -78.82 -62.38 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.231 -0.918 . . . . 1.16 110.387 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 280' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -51.39 -47.36 62.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.379 -0.826 . . . . 2.62 110.599 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.44 -39.59 85.41 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.999 -1.063 . . . . 1.73 110.215 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 282' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 232' ' ' PHE . 11.2 mt -55.21 -30.52 60.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.043 -1.036 . . . . 1.08 109.119 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 283' ' ' LYS . . . . . 0.61 ' HG2' ' SG ' ' A' ' 288' ' ' CYS . 7.1 mtpt -84.22 -30.32 25.84 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.292 -0.88 . . . . 2.71 109.374 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 284' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -81.02 -5.11 57.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.252 -0.905 . . . . 3.21 110.523 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 285' ' ' ALA . . . . . . . . . . . . . . . -97.81 30.85 2.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.702 -1.249 . . . . 1.11 109.615 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 286' ' ' ASN . . . . . . . . . . . . . 24.0 t30 58.88 55.42 4.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.293 -0.88 . . . . 2.28 109.791 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 287' ' ' LEU . . . . . . . . . . . . . 13.3 mt -136.92 -65.71 0.54 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.187 -0.945 . . . . 1.24 109.351 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 288' ' ' CYS . . . . . 0.61 ' SG ' ' HG2' ' A' ' 283' ' ' LYS . 0.1 OUTLIER 54.34 28.51 9.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.262 -0.899 . . . . 2.12 109.648 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 289' ' ' THR . . . . . . . . . . . . . 6.1 m -139.02 -44.24 0.47 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.2 -0.938 . . . . 1.64 109.723 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . 22.4 mt -64.15 -47.92 78.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.234 -0.916 . . . . 1.54 109.603 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' ALA . . . . . . . . . . . . . . . -55.01 -21.17 11.13 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.437 -0.789 . . . . 1.14 110.716 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -73.39 -58.29 3.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.796 -1.19 . . . . 1.89 109.973 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 293' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -49.85 64.82 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.267 -0.895 . . . . 3.8 109.778 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 294' ' ' ILE . . . . . . . . . . . . . 13.4 pt -61.16 -34.6 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.149 -0.969 . . . . 1.07 109.226 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -55.77 -36.65 67.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.311 -0.868 . . . . 1.83 108.718 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 33.1 m -74.2 -34.21 63.66 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.499 -0.751 . . . . 1.2 109.679 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 297' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.52 -58.56 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.066 -1.021 . . . . 1.4 109.76 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 298' ' ' ILE . . . . . 0.417 HD12 ' CE1' ' A' ' 275' ' ' TYR . 3.6 mp -60.42 -42.27 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.243 -0.911 . . . . 1.28 109.7 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.5 -31.09 55.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.27 -0.894 . . . . 2.3 109.323 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -77.62 -38.43 48.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.288 -0.882 . . . . 3.01 109.366 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.1 -56.83 14.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.274 -0.891 . . . . 1.84 109.49 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' ILE . . . . . . . . . . . . . 2.7 mt -69.66 -29.69 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 2.06 109.243 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' THR . . . . . . . . . . . . . 7.4 m -100.31 33.83 2.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.352 -0.843 . . . . 1.84 109.273 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.75 25.84 3.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.383 -0.823 . . . . 3.2 110.266 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -98.54 30.51 3.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.167 -0.958 . . . . 5.27 109.326 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.2 -40.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.897 . . . . 6.23 109.445 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -102.75 18.14 22.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.265 -0.897 . . . . 7.49 110.271 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -127.97 -160.04 0.99 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.159 -0.963 . . . . 7.85 109.248 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.87 55.35 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.132 -0.98 . . . . 8.5 109.398 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.95 59.38 0.98 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.249 -0.907 . . . . 10.03 109.513 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' PHE . . . . . 0.439 ' CD2' ' CG1' ' A' ' 319' ' ' VAL . 0.2 OUTLIER -125.59 -42.28 1.95 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.111 -0.993 . . . . 12.87 109.406 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' ARG . . . . . 0.413 ' CG ' HG12 ' A' ' 315' ' ' ILE . 0.2 OUTLIER -86.56 73.84 10.0 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.358 -0.839 . . . . 15.94 109.497 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -95.29 119.1 33.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.164 -0.96 . . . . 16.3 109.16 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 67.25 39.04 3.15 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.386 -0.821 . . . . 17.95 109.243 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' ILE . . . . . 0.413 HG12 ' CG ' ' A' ' 312' ' ' ARG . 0.2 OUTLIER -149.0 -46.39 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.261 -0.899 . . . . 16.29 109.136 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -179.2 -91.55 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.259 -0.901 . . . . 18.44 109.419 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.99 -57.77 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.613 -1.304 . . . . 20.32 110.548 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.27 -143.35 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.116 -0.99 . . . . 22.53 110.074 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' VAL . . . . . 0.439 ' CG1' ' CD2' ' A' ' 311' ' ' PHE . 0.1 OUTLIER -151.31 131.99 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.399 -1.438 . . . . 23.24 109.403 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 5.8 tp 174.38 -62.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.912 . . . . 24.6 109.653 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -61.95 -80.73 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.265 -0.897 . . . . 26.04 109.878 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -62.9 107.17 0.94 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.137 -0.977 . . . . 27.06 109.508 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -172.64 -161.23 0.15 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.278 -0.888 . . . . 28.73 109.345 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -123.59 -40.29 2.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.935 . . . . 29.92 109.617 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -162.1 -43.69 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.165 -0.959 . . . . 31.36 109.527 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -54.69 146.51 16.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.324 -0.86 . . . . 32.54 109.497 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 117.984 -1.008 . . . . 35.25 109.506 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' MET . . . . . 0.47 ' O ' ' CB ' ' A' ' 202' ' ' GLU . 4.7 mtp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.511 -0.552 . . . . 14.74 109.511 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' GLU . . . . . 0.477 ' OE2' ' HB2' ' A' ' 205' ' ' ALA . 0.0 OUTLIER 88.65 -17.59 0.26 Allowed 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 110.072 -0.344 . . . . 14.67 110.072 -179.758 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 203' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 204' ' ' VAL . 0.4 OUTLIER 57.57 169.12 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.07 -1.019 . . . . 11.14 110.676 178.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 204' ' ' VAL . . . . . 0.512 ' N ' HG23 ' A' ' 203' ' ' THR . 20.0 t -53.13 137.63 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.128 -0.983 . . . . 9.1 109.507 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 205' ' ' ALA . . . . . 0.477 ' HB2' ' OE2' ' A' ' 202' ' ' GLU . . . -118.17 38.14 3.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.22 -0.925 . . . . 8.02 109.749 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 207' ' ' ASN . 0.2 OUTLIER 66.09 161.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.368 -0.833 . . . . 6.2 109.632 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 207' ' ' ASN . . . . . 0.433 ' N ' HG23 ' A' ' 206' ' ' ILE . 5.1 t-20 -142.82 11.24 1.82 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.312 -0.868 . . . . 6.57 110.893 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.454 HD23 HG23 ' A' ' 211' ' ' VAL . 0.6 OUTLIER -90.5 51.84 2.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.689 -1.257 . . . . 3.4 109.499 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.11 -29.49 60.6 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.244 -0.91 . . . . 2.97 109.534 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 210' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.86 41.62 1.27 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.247 -0.908 . . . . 2.67 109.371 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 211' ' ' VAL . . . . . 0.634 HG21 ' CB ' ' A' ' 275' ' ' TYR . 0.3 OUTLIER -54.28 -27.8 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.332 -0.855 . . . . 0.74 109.593 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 212' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 55.22 50.17 15.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.167 -0.958 . . . . 2.14 109.35 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 213' ' ' LEU . . . . . 0.513 HD22 ' C ' ' A' ' 274' ' ' ALA . 11.8 tp -57.3 108.39 0.53 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 1.48 109.536 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 214' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 173.8 -35.34 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.388 -0.82 . . . . 1.62 109.437 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 215' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -90.37 -24.34 20.84 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.293 -0.879 . . . . 2.96 109.863 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 216' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -84.49 -4.59 59.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.035 -1.04 . . . . 1.36 110.549 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 217' ' ' ILE . . . . . 0.507 HG21 ' HA ' ' A' ' 263' ' ' ARG . 11.0 mm -68.17 -33.44 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.625 -1.297 . . . . 0.79 109.419 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 68.6 m -80.95 -54.85 5.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.211 -0.931 . . . . 1.36 109.416 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 219' ' ' THR . . . . . 0.859 HG22 HD13 ' A' ' 297' ' ' ILE . 0.7 OUTLIER -58.25 -21.75 49.57 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.464 -0.772 . . . . 0.42 110.119 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 220' ' ' ILE . . . . . 0.741 HG23 HG22 ' A' ' 294' ' ' ILE . 12.5 mt -79.74 -51.6 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.063 -1.023 . . . . 0.29 109.943 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 221' ' ' ALA . . . . . 0.76 ' HB3' HG22 ' A' ' 259' ' ' VAL . . . -53.09 -25.81 14.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.395 -0.816 . . . . 0.5 110.229 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.33 -46.9 85.84 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.894 -1.282 . . . . 0.61 109.894 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' VAL . . . . . 0.547 HG21 ' CB ' ' A' ' 293' ' ' LYS . 3.9 m -85.98 -19.89 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.159 -1.201 . . . . 1.02 110.463 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 224' ' ' MET . . . . . 0.867 ' SD ' HD11 ' A' ' 262' ' ' LEU . 97.4 mtp -79.54 171.95 14.45 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.867 -1.146 . . . . 0.76 109.747 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.16 -179.39 3.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.31 -0.869 . . . . 0.79 109.42 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.776 HD22 ' O ' ' A' ' 253' ' ' ASP . 27.2 tp -83.13 -39.88 20.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.26 -0.9 . . . . 0.57 109.616 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 227' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -32.93 63.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.093 -1.005 . . . . 0.8 108.929 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 228' ' ' GLN . . . . . 0.626 ' HB3' HD11 ' A' ' 290' ' ' LEU . 0.8 OUTLIER -68.49 -56.85 6.98 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.41 -0.806 . . . . 1.62 108.922 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 229' ' ' VAL . . . . . 0.673 HG22 ' CE ' ' A' ' 224' ' ' MET . 61.5 t -58.67 -30.56 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.271 -0.893 . . . . 0.67 109.168 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 230' ' ' LYS . . . . . 0.554 ' HA ' HD22 ' A' ' 261' ' ' LEU . 12.3 mtpt -58.4 -66.79 0.43 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.354 -0.841 . . . . 1.95 109.332 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 231' ' ' GLY . . . . . . . . . . . . . . . -55.97 -21.65 31.77 Favored Glycine 0 N--CA 1.491 2.35 0 C-N-CA 120.118 -1.039 . . . . 0.32 110.509 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 232' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -68.69 -71.7 0.21 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.851 -1.381 . . . . 1.26 110.73 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 233' ' ' VAL . . . . . 0.876 HG21 HD11 ' A' ' 243' ' ' ILE . 29.9 m -53.85 -45.77 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.149 -0.969 . . . . 0.26 110.491 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 234' ' ' ARG . . . . . 0.501 ' HG3' HG21 ' A' ' 243' ' ' ILE . 0.0 OUTLIER -57.94 -34.65 70.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.802 -1.186 . . . . 2.16 109.419 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 235' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -95.95 39.21 1.15 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.191 -0.943 . . . . 1.98 109.855 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 236' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.59 26.05 1.62 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.137 -0.977 . . . . 1.52 109.856 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 237' ' ' GLY . . . . . 0.725 ' O ' HD21 ' A' ' 268' ' ' LEU . . . 71.61 30.0 67.01 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 110.176 -1.169 . . . . 0.53 110.176 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 238' ' ' VAL . . . . . 0.769 HG13 HD13 ' A' ' 268' ' ' LEU . 11.9 t -97.68 26.32 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 120.971 -1.311 . . . . 0.61 109.537 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 239' ' ' ASN . . . . . . . . . . . . . 2.9 m120 65.9 125.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.421 -0.799 . . . . 1.69 109.729 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 240' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -76.58 -36.32 57.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.241 -0.912 . . . . 2.49 109.045 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 241' ' ' ALA . . . . . . . . . . . . . . . -63.26 -36.43 83.65 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.339 -0.851 . . . . 0.69 109.009 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 242' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -52.55 64.89 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.363 -0.835 . . . . 2.37 109.163 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 243' ' ' ILE . . . . . 0.876 HD11 HG21 ' A' ' 233' ' ' VAL . 4.0 mm -61.42 -25.98 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 121.17 -0.956 . . . . 0.3 109.352 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 244' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -58.11 -45.77 86.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.128 -0.983 . . . . 1.89 108.92 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.1 -38.84 82.75 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.321 -0.862 . . . . 1.64 108.916 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 246' ' ' ILE . . . . . 0.518 HG21 ' HG ' ' A' ' 261' ' ' LEU . 49.8 mt -76.81 -4.43 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.39 -0.819 . . . . 0.43 110.118 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 247' ' ' LYS . . . . . 0.494 ' HD3' HG22 ' A' ' 243' ' ' ILE . 0.2 OUTLIER -90.25 -60.37 1.94 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.797 -1.189 . . . . 1.43 109.688 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 248' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.22 -29.11 68.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.263 -0.898 . . . . 1.68 109.716 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 249' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -56.36 -22.45 31.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 1.36 109.945 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 250' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -156.35 69.95 0.65 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.944 -1.098 . . . . 2.52 109.518 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 251' ' ' VAL . . . . . . . . . . . . . 10.0 t -63.82 -26.14 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.414 -0.804 . . . . 1.34 110.021 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 252' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -134.24 56.12 1.86 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.006 -1.059 . . . . 2.32 110.004 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 253' ' ' ASP . . . . . 0.776 ' O ' HD22 ' A' ' 226' ' ' LEU . 12.6 t0 -142.47 111.09 6.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.148 -0.97 . . . . 1.25 109.254 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 254' ' ' THR . . . . . . . . . . . . . 4.7 t -116.51 27.21 9.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.182 -0.948 . . . . 0.79 109.919 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 255' ' ' ALA . . . . . . . . . . . . . . . -80.89 -78.98 0.16 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.128 -0.982 . . . . 0.74 109.085 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 256' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -99.75 -17.02 17.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.231 -0.918 . . . . 1.6 109.634 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 257' ' ' GLN . . . . . 0.706 ' O ' HD12 ' A' ' 261' ' ' LEU . 50.2 mm-40 -53.09 -29.31 29.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.176 -0.953 . . . . 1.39 109.399 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 258' ' ' LYS . . . . . 0.677 ' CB ' ' HB1' ' A' ' 221' ' ' ALA . 25.0 mtmt -59.32 -50.79 72.64 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.15 -0.969 . . . . 1.42 109.18 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 259' ' ' VAL . . . . . 0.76 HG22 ' HB3' ' A' ' 221' ' ' ALA . 21.1 t -75.64 -10.12 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.222 -0.924 . . . . 0.33 110.104 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 260' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -48.65 24.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.721 -1.237 . . . . 1.98 108.398 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 261' ' ' LEU . . . . . 0.824 HD23 ' CD1' ' A' ' 243' ' ' ILE . 3.8 mp -69.42 -52.66 24.78 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.5 -0.75 . . . . 0.21 109.384 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.867 HD11 ' SD ' ' A' ' 224' ' ' MET . 6.7 mt -52.42 -51.91 56.66 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.554 -0.716 . . . . 0.23 109.791 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 263' ' ' ARG . . . . . 0.507 ' HA ' HG21 ' A' ' 217' ' ' ILE . 0.0 OUTLIER -58.9 -38.42 78.85 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.45 -0.781 . . . . 2.69 110.448 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 264' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -58.58 -33.45 69.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.027 -1.046 . . . . 1.21 109.105 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 265' ' ' TRP . . . . . 0.597 ' CB ' HG12 ' A' ' 233' ' ' VAL . 14.5 t90 -81.21 -26.15 36.14 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.48 -0.763 . . . . 0.32 109.853 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 266' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -53.49 53.44 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.093 -1.005 . . . . 1.06 109.415 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 267' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -56.75 -28.59 61.43 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.187 -0.945 . . . . 1.97 109.295 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 268' ' ' LEU . . . . . 0.769 HD13 HG13 ' A' ' 238' ' ' VAL . 0.0 OUTLIER -53.78 -62.27 1.76 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.294 -0.879 . . . . 0.81 109.761 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 269' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.46 -88.57 0.15 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.142 -0.973 . . . . 2.62 109.469 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 270' ' ' GLY . . . . . . . . . . . . . . . 51.77 88.34 0.01 OUTLIER Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.862 -1.295 . . . . 2.37 109.862 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 271' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -170.55 -80.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.101 -1.235 . . . . 6.51 109.799 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -141.57 138.66 32.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.109 -0.994 . . . . 5.77 109.575 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 54.19 28.14 8.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.309 -0.87 . . . . 2.93 109.637 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 274' ' ' ALA . . . . . 0.513 ' C ' HD22 ' A' ' 213' ' ' LEU . . . -62.35 -30.52 71.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.189 -0.945 . . . . 0.61 109.415 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 275' ' ' TYR . . . . . 0.634 ' CB ' HG21 ' A' ' 211' ' ' VAL . 20.2 t80 -63.67 -32.85 74.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.322 -0.861 . . . . 1.22 109.524 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 276' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -67.77 -26.29 66.04 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.326 -0.859 . . . . 1.99 109.674 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 277' ' ' THR . . . . . . . . . . . . . 53.1 m -79.23 -31.11 43.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.972 -1.08 . . . . 0.65 109.095 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 278' ' ' LEU . . . . . 0.59 HD21 HD13 ' A' ' 220' ' ' ILE . 13.8 tp -70.7 -39.67 73.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -0.868 . . . . 0.35 109.403 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 0.487 HD11 ' OH ' ' A' ' 275' ' ' TYR . 1.7 mm -78.82 -62.38 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.231 -0.918 . . . . 0.31 110.387 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 280' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -51.39 -47.36 62.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.379 -0.826 . . . . 2.09 110.599 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.44 -39.59 85.41 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.999 -1.063 . . . . 1.73 110.215 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 282' ' ' LEU . . . . . 0.585 HD22 ' HB2' ' A' ' 290' ' ' LEU . 11.2 mt -55.21 -30.52 60.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.043 -1.036 . . . . 0.31 109.119 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 283' ' ' LYS . . . . . 0.617 ' HG2' ' SG ' ' A' ' 288' ' ' CYS . 7.1 mtpt -84.22 -30.32 25.84 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.292 -0.88 . . . . 2.32 109.374 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 284' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -81.02 -5.11 57.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.252 -0.905 . . . . 2.71 110.523 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 285' ' ' ALA . . . . . . . . . . . . . . . -97.81 30.85 2.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.702 -1.249 . . . . 0.67 109.615 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 286' ' ' ASN . . . . . 0.819 ' O ' HD23 ' A' ' 287' ' ' LEU . 24.0 t30 58.88 55.42 4.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.293 -0.88 . . . . 1.82 109.791 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 287' ' ' LEU . . . . . 0.902 HD13 HD12 ' A' ' 290' ' ' LEU . 13.3 mt -136.92 -65.71 0.54 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.187 -0.945 . . . . 0.5 109.351 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 288' ' ' CYS . . . . . 0.617 ' SG ' ' HG2' ' A' ' 283' ' ' LYS . 0.1 OUTLIER 54.34 28.51 9.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.262 -0.899 . . . . 1.72 109.648 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 289' ' ' THR . . . . . . . . . . . . . 6.1 m -139.02 -44.24 0.47 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.2 -0.938 . . . . 0.89 109.723 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 290' ' ' LEU . . . . . 0.902 HD12 HD13 ' A' ' 287' ' ' LEU . 22.4 mt -64.15 -47.92 78.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.234 -0.916 . . . . 0.92 109.603 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 291' ' ' ALA . . . . . 0.507 ' HB2' ' CB ' ' A' ' 282' ' ' LEU . . . -55.01 -21.17 11.13 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.437 -0.789 . . . . 0.33 110.716 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -73.39 -58.29 3.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.796 -1.19 . . . . 1.89 109.973 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 293' ' ' LYS . . . . . 0.547 ' CB ' HG21 ' A' ' 223' ' ' VAL . 0.2 OUTLIER -52.81 -49.85 64.82 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.267 -0.895 . . . . 3.41 109.778 -179.859 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 294' ' ' ILE . . . . . 0.741 HG22 HG23 ' A' ' 220' ' ' ILE . 13.4 pt -61.16 -34.6 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.149 -0.969 . . . . 0.24 109.226 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -55.77 -36.65 67.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.311 -0.868 . . . . 1.6 108.718 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 33.1 m -74.2 -34.21 63.66 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.499 -0.751 . . . . 0.45 109.679 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 297' ' ' ILE . . . . . 0.859 HD13 HG22 ' A' ' 219' ' ' THR . 59.9 mt -59.52 -58.56 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.066 -1.021 . . . . 0.72 109.76 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 298' ' ' ILE . . . . . 0.579 HD12 ' H ' ' A' ' 298' ' ' ILE . 3.6 mp -60.42 -42.27 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.243 -0.911 . . . . 0.63 109.7 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.5 -31.09 55.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.27 -0.894 . . . . 1.65 109.323 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 300' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -77.62 -38.43 48.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.288 -0.882 . . . . 2.62 109.366 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.1 -56.83 14.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.274 -0.891 . . . . 1.84 109.49 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 302' ' ' ILE . . . . . . . . . . . . . 2.7 mt -69.66 -29.69 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 1.35 109.243 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 303' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 303' ' ' THR . 7.4 m -100.31 33.83 2.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.352 -0.843 . . . . 1.26 109.273 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.75 25.84 3.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.383 -0.823 . . . . 2.81 110.266 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 305' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -98.54 30.51 3.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.167 -0.958 . . . . 5.27 109.326 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.2 -40.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.897 . . . . 5.76 109.445 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -102.75 18.14 22.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.265 -0.897 . . . . 7.49 110.271 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -127.97 -160.04 0.99 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.159 -0.963 . . . . 7.35 109.248 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.87 55.35 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.132 -0.98 . . . . 8.5 109.398 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 310' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.95 59.38 0.98 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.249 -0.907 . . . . 10.03 109.513 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 311' ' ' PHE . . . . . 0.901 ' CD2' HG13 ' A' ' 319' ' ' VAL . 0.2 OUTLIER -125.59 -42.28 1.95 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.111 -0.993 . . . . 12.28 109.406 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 312' ' ' ARG . . . . . 0.502 ' HG3' HD13 ' A' ' 315' ' ' ILE . 0.2 OUTLIER -86.56 73.84 10.0 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.358 -0.839 . . . . 15.43 109.497 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 313' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -95.29 119.1 33.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.164 -0.96 . . . . 15.96 109.16 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 314' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 67.25 39.04 3.15 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.386 -0.821 . . . . 17.95 109.243 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 315' ' ' ILE . . . . . 0.502 HD13 ' HG3' ' A' ' 312' ' ' ARG . 0.2 OUTLIER -149.0 -46.39 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.261 -0.899 . . . . 16.29 109.136 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -179.2 -91.55 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.259 -0.901 . . . . 18.44 109.419 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.99 -57.77 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.613 -1.304 . . . . 20.29 110.548 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 318' ' ' LEU . . . . . 0.495 HD12 ' H ' ' A' ' 319' ' ' VAL . 0.6 OUTLIER -65.27 -143.35 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.116 -0.99 . . . . 22.19 110.074 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 319' ' ' VAL . . . . . 0.901 HG13 ' CD2' ' A' ' 311' ' ' PHE . 0.1 OUTLIER -151.31 131.99 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.399 -1.438 . . . . 23.1 109.403 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.437 ' C ' HD12 ' A' ' 320' ' ' LEU . 5.8 tp 174.38 -62.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.912 . . . . 24.55 109.653 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -61.95 -80.73 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.265 -0.897 . . . . 26.04 109.878 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 322' ' ' HIS . . . . . 0.419 ' ND1' HD12 ' A' ' 315' ' ' ILE . 0.9 OUTLIER -62.9 107.17 0.94 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.137 -0.977 . . . . 27.06 109.508 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -172.64 -161.23 0.15 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.278 -0.888 . . . . 28.73 109.345 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 324' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -123.59 -40.29 2.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.935 . . . . 29.92 109.617 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 325' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -162.1 -43.69 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.165 -0.959 . . . . 31.31 109.527 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 326' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -54.69 146.51 16.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.324 -0.86 . . . . 32.54 109.497 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 327' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 117.984 -1.008 . . . . 34.83 109.506 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' MET . . . . . 0.47 ' O ' ' CB ' ' A' ' 202' ' ' GLU . 4.7 mtp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.511 -0.552 . . . . 14.74 109.511 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' GLU . . . . . 0.477 ' OE2' ' HB2' ' A' ' 205' ' ' ALA . 0.0 OUTLIER 88.65 -17.59 0.26 Allowed 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 110.072 -0.344 . . . . 14.67 110.072 -179.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 204' ' ' VAL . 0.4 OUTLIER 57.57 169.12 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.07 -1.019 . . . . 11.14 110.676 178.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' VAL . . . . . 0.512 ' N ' HG23 ' A' ' 203' ' ' THR . 20.0 t -53.13 137.63 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.128 -0.983 . . . . 9.1 109.507 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . 0.477 ' HB2' ' OE2' ' A' ' 202' ' ' GLU . . . -118.17 38.14 3.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.22 -0.925 . . . . 8.02 109.749 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 207' ' ' ASN . 0.2 OUTLIER 66.09 161.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.368 -0.833 . . . . 6.2 109.632 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' ASN . . . . . 0.433 ' N ' HG23 ' A' ' 206' ' ' ILE . 5.1 t-20 -142.82 11.24 1.82 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.312 -0.868 . . . . 6.57 110.893 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.454 HD23 HG23 ' A' ' 211' ' ' VAL . 0.6 OUTLIER -90.5 51.84 2.09 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.689 -1.257 . . . . 3.4 109.499 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.11 -29.49 60.6 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.244 -0.91 . . . . 2.97 109.534 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -103.86 41.62 1.27 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.247 -0.908 . . . . 2.67 109.371 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' VAL . . . . . 0.634 HG21 ' CB ' ' A' ' 275' ' ' TYR . 0.3 OUTLIER -54.28 -27.8 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.332 -0.855 . . . . 0.74 109.593 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 55.22 50.17 15.67 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.167 -0.958 . . . . 2.14 109.35 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' LEU . . . . . 0.513 HD22 ' C ' ' A' ' 274' ' ' ALA . 11.8 tp -57.3 108.39 0.53 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 1.48 109.536 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 173.8 -35.34 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.388 -0.82 . . . . 1.62 109.437 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -90.37 -24.34 20.84 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.293 -0.879 . . . . 2.96 109.863 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -84.49 -4.59 59.03 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.035 -1.04 . . . . 1.36 110.549 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' ILE . . . . . 0.507 HG21 ' HA ' ' A' ' 263' ' ' ARG . 11.0 mm -68.17 -33.44 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.625 -1.297 . . . . 0.79 109.419 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 68.6 m -80.95 -54.85 5.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.211 -0.931 . . . . 1.36 109.416 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' THR . . . . . 0.859 HG22 HD13 ' A' ' 297' ' ' ILE . 0.7 OUTLIER -58.25 -21.75 49.57 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.464 -0.772 . . . . 0.42 110.119 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' ILE . . . . . 0.741 HG23 HG22 ' A' ' 294' ' ' ILE . 12.5 mt -79.74 -51.6 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.063 -1.023 . . . . 0.29 109.943 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' ALA . . . . . 0.76 ' HB3' HG22 ' A' ' 259' ' ' VAL . . . -53.09 -25.81 14.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.395 -0.816 . . . . 0.5 110.229 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -56.33 -46.9 85.84 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.894 -1.282 . . . . 0.61 109.894 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' VAL . . . . . 0.547 HG21 ' CB ' ' A' ' 293' ' ' LYS . 3.9 m -85.98 -19.89 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.159 -1.201 . . . . 1.02 110.463 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . 0.867 ' SD ' HD11 ' A' ' 262' ' ' LEU . 97.4 mtp -79.54 171.95 14.45 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.867 -1.146 . . . . 0.76 109.747 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.16 -179.39 3.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.31 -0.869 . . . . 0.79 109.42 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.776 HD22 ' O ' ' A' ' 253' ' ' ASP . 27.2 tp -83.13 -39.88 20.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.26 -0.9 . . . . 0.57 109.616 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -32.93 63.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.093 -1.005 . . . . 0.8 108.929 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' GLN . . . . . 0.626 ' HB3' HD11 ' A' ' 290' ' ' LEU . 0.8 OUTLIER -68.49 -56.85 6.98 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.41 -0.806 . . . . 1.62 108.922 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' VAL . . . . . 0.673 HG22 ' CE ' ' A' ' 224' ' ' MET . 61.5 t -58.67 -30.56 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.271 -0.893 . . . . 0.67 109.168 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . 0.554 ' HA ' HD22 ' A' ' 261' ' ' LEU . 12.3 mtpt -58.4 -66.79 0.43 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.354 -0.841 . . . . 1.95 109.332 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' GLY . . . . . . . . . . . . . . . -55.97 -21.65 31.77 Favored Glycine 0 N--CA 1.491 2.35 0 C-N-CA 120.118 -1.039 . . . . 0.32 110.509 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -68.69 -71.7 0.21 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.851 -1.381 . . . . 1.26 110.73 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . 0.876 HG21 HD11 ' A' ' 243' ' ' ILE . 29.9 m -53.85 -45.77 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.149 -0.969 . . . . 0.26 110.491 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' ARG . . . . . 0.501 ' HG3' HG21 ' A' ' 243' ' ' ILE . 0.0 OUTLIER -57.94 -34.65 70.12 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.802 -1.186 . . . . 2.16 109.419 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 235' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -95.95 39.21 1.15 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.191 -0.943 . . . . 1.98 109.855 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 236' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.59 26.05 1.62 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.137 -0.977 . . . . 1.52 109.856 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 237' ' ' GLY . . . . . 0.725 ' O ' HD21 ' A' ' 268' ' ' LEU . . . 71.61 30.0 67.01 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 110.176 -1.169 . . . . 0.53 110.176 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 238' ' ' VAL . . . . . 0.769 HG13 HD13 ' A' ' 268' ' ' LEU . 11.9 t -97.68 26.32 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 120.971 -1.311 . . . . 0.61 109.537 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 239' ' ' ASN . . . . . . . . . . . . . 2.9 m120 65.9 125.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.421 -0.799 . . . . 1.69 109.729 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 240' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -76.58 -36.32 57.64 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.241 -0.912 . . . . 2.49 109.045 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 241' ' ' ALA . . . . . . . . . . . . . . . -63.26 -36.43 83.65 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.339 -0.851 . . . . 0.69 109.009 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 242' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -52.55 64.89 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.363 -0.835 . . . . 2.37 109.163 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 243' ' ' ILE . . . . . 0.876 HD11 HG21 ' A' ' 233' ' ' VAL . 4.0 mm -61.42 -25.98 38.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 O-C-N 121.17 -0.956 . . . . 0.3 109.352 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 244' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -58.11 -45.77 86.68 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.128 -0.983 . . . . 1.89 108.92 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.1 -38.84 82.75 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.321 -0.862 . . . . 1.64 108.916 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 246' ' ' ILE . . . . . 0.518 HG21 ' HG ' ' A' ' 261' ' ' LEU . 49.8 mt -76.81 -4.43 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.39 -0.819 . . . . 0.43 110.118 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 247' ' ' LYS . . . . . 0.494 ' HD3' HG22 ' A' ' 243' ' ' ILE . 0.2 OUTLIER -90.25 -60.37 1.94 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.797 -1.189 . . . . 1.43 109.688 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 248' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.22 -29.11 68.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.263 -0.898 . . . . 1.68 109.716 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 249' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -56.36 -22.45 31.16 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 1.36 109.945 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 250' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -156.35 69.95 0.65 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.944 -1.098 . . . . 2.52 109.518 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 251' ' ' VAL . . . . . . . . . . . . . 10.0 t -63.82 -26.14 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.414 -0.804 . . . . 1.34 110.021 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 252' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -134.24 56.12 1.86 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.006 -1.059 . . . . 2.32 110.004 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 253' ' ' ASP . . . . . 0.776 ' O ' HD22 ' A' ' 226' ' ' LEU . 12.6 t0 -142.47 111.09 6.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.148 -0.97 . . . . 1.25 109.254 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 254' ' ' THR . . . . . . . . . . . . . 4.7 t -116.51 27.21 9.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.182 -0.948 . . . . 0.79 109.919 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 255' ' ' ALA . . . . . . . . . . . . . . . -80.89 -78.98 0.16 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.128 -0.982 . . . . 0.74 109.085 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 256' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -99.75 -17.02 17.92 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.231 -0.918 . . . . 1.6 109.634 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 257' ' ' GLN . . . . . 0.706 ' O ' HD12 ' A' ' 261' ' ' LEU . 50.2 mm-40 -53.09 -29.31 29.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.176 -0.953 . . . . 1.39 109.399 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 258' ' ' LYS . . . . . 0.677 ' CB ' ' HB1' ' A' ' 221' ' ' ALA . 25.0 mtmt -59.32 -50.79 72.64 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.15 -0.969 . . . . 1.42 109.18 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . 0.76 HG22 ' HB3' ' A' ' 221' ' ' ALA . 21.1 t -75.64 -10.12 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.222 -0.924 . . . . 0.33 110.104 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 260' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -48.65 24.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.721 -1.237 . . . . 1.98 108.398 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 261' ' ' LEU . . . . . 0.824 HD23 ' CD1' ' A' ' 243' ' ' ILE . 3.8 mp -69.42 -52.66 24.78 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.5 -0.75 . . . . 0.21 109.384 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.867 HD11 ' SD ' ' A' ' 224' ' ' MET . 6.7 mt -52.42 -51.91 56.66 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.554 -0.716 . . . . 0.23 109.791 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 263' ' ' ARG . . . . . 0.507 ' HA ' HG21 ' A' ' 217' ' ' ILE . 0.0 OUTLIER -58.9 -38.42 78.85 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.45 -0.781 . . . . 2.69 110.448 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 264' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -58.58 -33.45 69.99 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.027 -1.046 . . . . 1.21 109.105 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 265' ' ' TRP . . . . . 0.597 ' CB ' HG12 ' A' ' 233' ' ' VAL . 14.5 t90 -81.21 -26.15 36.14 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.48 -0.763 . . . . 0.32 109.853 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 266' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -53.49 53.44 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.093 -1.005 . . . . 1.06 109.415 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 267' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -56.75 -28.59 61.43 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.187 -0.945 . . . . 1.97 109.295 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 268' ' ' LEU . . . . . 0.769 HD13 HG13 ' A' ' 238' ' ' VAL . 0.0 OUTLIER -53.78 -62.27 1.76 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.294 -0.879 . . . . 0.81 109.761 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 269' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.46 -88.57 0.15 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.142 -0.973 . . . . 2.62 109.469 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 270' ' ' GLY . . . . . . . . . . . . . . . 51.77 88.34 0.01 OUTLIER Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.862 -1.295 . . . . 2.37 109.862 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 271' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -170.55 -80.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.101 -1.235 . . . . 6.51 109.799 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 272' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -141.57 138.66 32.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.109 -0.994 . . . . 5.77 109.575 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 273' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 54.19 28.14 8.7 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.309 -0.87 . . . . 2.93 109.637 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 274' ' ' ALA . . . . . 0.513 ' C ' HD22 ' A' ' 213' ' ' LEU . . . -62.35 -30.52 71.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.189 -0.945 . . . . 0.61 109.415 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 275' ' ' TYR . . . . . 0.634 ' CB ' HG21 ' A' ' 211' ' ' VAL . 20.2 t80 -63.67 -32.85 74.46 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.322 -0.861 . . . . 1.22 109.524 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 276' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -67.77 -26.29 66.04 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.326 -0.859 . . . . 1.99 109.674 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 277' ' ' THR . . . . . . . . . . . . . 53.1 m -79.23 -31.11 43.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.972 -1.08 . . . . 0.65 109.095 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 278' ' ' LEU . . . . . 0.59 HD21 HD13 ' A' ' 220' ' ' ILE . 13.8 tp -70.7 -39.67 73.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.311 -0.868 . . . . 0.35 109.403 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 0.487 HD11 ' OH ' ' A' ' 275' ' ' TYR . 1.7 mm -78.82 -62.38 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.231 -0.918 . . . . 0.31 110.387 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 280' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -51.39 -47.36 62.91 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.379 -0.826 . . . . 2.09 110.599 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 281' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.44 -39.59 85.41 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.999 -1.063 . . . . 1.73 110.215 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 282' ' ' LEU . . . . . 0.585 HD22 ' HB2' ' A' ' 290' ' ' LEU . 11.2 mt -55.21 -30.52 60.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.043 -1.036 . . . . 0.31 109.119 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 283' ' ' LYS . . . . . 0.617 ' HG2' ' SG ' ' A' ' 288' ' ' CYS . 7.1 mtpt -84.22 -30.32 25.84 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.292 -0.88 . . . . 2.32 109.374 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 284' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -81.02 -5.11 57.21 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.252 -0.905 . . . . 2.71 110.523 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 285' ' ' ALA . . . . . . . . . . . . . . . -97.81 30.85 2.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.702 -1.249 . . . . 0.67 109.615 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 286' ' ' ASN . . . . . 0.819 ' O ' HD23 ' A' ' 287' ' ' LEU . 24.0 t30 58.88 55.42 4.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.293 -0.88 . . . . 1.82 109.791 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 287' ' ' LEU . . . . . 0.902 HD13 HD12 ' A' ' 290' ' ' LEU . 13.3 mt -136.92 -65.71 0.54 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.187 -0.945 . . . . 0.5 109.351 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 288' ' ' CYS . . . . . 0.617 ' SG ' ' HG2' ' A' ' 283' ' ' LYS . 0.1 OUTLIER 54.34 28.51 9.47 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.262 -0.899 . . . . 1.72 109.648 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 289' ' ' THR . . . . . . . . . . . . . 6.1 m -139.02 -44.24 0.47 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.2 -0.938 . . . . 0.89 109.723 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . 0.902 HD12 HD13 ' A' ' 287' ' ' LEU . 22.4 mt -64.15 -47.92 78.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.234 -0.916 . . . . 0.92 109.603 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' ALA . . . . . 0.507 ' HB2' ' CB ' ' A' ' 282' ' ' LEU . . . -55.01 -21.17 11.13 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.437 -0.789 . . . . 0.33 110.716 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 292' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -73.39 -58.29 3.41 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.796 -1.19 . . . . 1.89 109.973 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 293' ' ' LYS . . . . . 0.547 ' CB ' HG21 ' A' ' 223' ' ' VAL . 0.2 OUTLIER -52.81 -49.85 64.82 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.267 -0.895 . . . . 3.41 109.778 -179.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 294' ' ' ILE . . . . . 0.741 HG22 HG23 ' A' ' 220' ' ' ILE . 13.4 pt -61.16 -34.6 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.149 -0.969 . . . . 0.24 109.226 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 295' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -55.77 -36.65 67.58 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.311 -0.868 . . . . 1.6 108.718 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 296' ' ' THR . . . . . . . . . . . . . 33.1 m -74.2 -34.21 63.66 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.499 -0.751 . . . . 0.45 109.679 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 297' ' ' ILE . . . . . 0.859 HD13 HG22 ' A' ' 219' ' ' THR . 59.9 mt -59.52 -58.56 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.066 -1.021 . . . . 0.72 109.76 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 298' ' ' ILE . . . . . 0.579 HD12 ' H ' ' A' ' 298' ' ' ILE . 3.6 mp -60.42 -42.27 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.243 -0.911 . . . . 0.63 109.7 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.5 -31.09 55.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.27 -0.894 . . . . 1.65 109.323 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -77.62 -38.43 48.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.288 -0.882 . . . . 2.62 109.366 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.1 -56.83 14.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.274 -0.891 . . . . 1.84 109.49 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' ILE . . . . . . . . . . . . . 2.7 mt -69.66 -29.69 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 1.35 109.243 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 303' ' ' THR . 7.4 m -100.31 33.83 2.55 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.352 -0.843 . . . . 1.26 109.273 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.75 25.84 3.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.383 -0.823 . . . . 2.81 110.266 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -98.54 30.51 3.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.167 -0.958 . . . . 5.27 109.326 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.2 -40.58 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.897 . . . . 5.76 109.445 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -102.75 18.14 22.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.265 -0.897 . . . . 7.49 110.271 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -127.97 -160.04 0.99 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.159 -0.963 . . . . 7.35 109.248 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.87 55.35 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.132 -0.98 . . . . 8.5 109.398 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.95 59.38 0.98 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.249 -0.907 . . . . 10.03 109.513 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' PHE . . . . . 0.901 ' CD2' HG13 ' A' ' 319' ' ' VAL . 0.2 OUTLIER -125.59 -42.28 1.95 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.111 -0.993 . . . . 12.28 109.406 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' ARG . . . . . 0.502 ' HG3' HD13 ' A' ' 315' ' ' ILE . 0.2 OUTLIER -86.56 73.84 10.0 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.358 -0.839 . . . . 15.43 109.497 -179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -95.29 119.1 33.22 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.164 -0.96 . . . . 15.96 109.16 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 67.25 39.04 3.15 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.386 -0.821 . . . . 17.95 109.243 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' ILE . . . . . 0.731 HD12 ' HD2' ' A' ' 322' ' ' HIS . 0.2 OUTLIER -149.0 -46.39 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.261 -0.899 . . . . 16.29 109.136 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -179.2 -91.55 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.259 -0.901 . . . . 18.44 109.419 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.99 -57.77 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.613 -1.304 . . . . 20.29 110.548 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' LEU . . . . . 0.495 HD12 ' H ' ' A' ' 319' ' ' VAL . 0.6 OUTLIER -65.27 -143.35 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.116 -0.99 . . . . 22.19 110.074 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' VAL . . . . . 0.901 HG13 ' CD2' ' A' ' 311' ' ' PHE . 0.1 OUTLIER -151.31 131.99 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.399 -1.438 . . . . 23.1 109.403 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.437 ' C ' HD12 ' A' ' 320' ' ' LEU . 5.8 tp 174.38 -62.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.912 . . . . 24.55 109.653 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -61.95 -80.73 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.265 -0.897 . . . . 26.04 109.878 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' HIS . . . . . 0.731 ' HD2' HD12 ' A' ' 315' ' ' ILE . 4.8 m-70 -62.9 107.17 0.94 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.137 -0.977 . . . . 27.06 109.508 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -172.64 -161.23 0.15 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.278 -0.888 . . . . 28.73 109.345 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -123.59 -40.29 2.35 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.935 . . . . 29.92 109.617 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -162.1 -43.69 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.165 -0.959 . . . . 31.31 109.527 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -54.69 146.51 16.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.324 -0.86 . . . . 32.54 109.497 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 117.984 -1.008 . . . . 34.83 109.506 -179.993 . . . . . . . . 0 0 . 1 stop_ save_