data_2le7_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 2le7 _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 ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -116.04 -48.4 2.74 Favored 'General case' 0 C--O 1.214 -0.793 0 C-N-CA 125.586 1.555 . . . . 0.0 111.109 -173.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -18.45 30.96 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.481 -1.387 . . . . 0.0 113.183 175.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.3 m -60.97 -54.83 40.16 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 127.746 2.418 . . . . 0.0 112.963 169.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -76.83 -41.38 44.47 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.332 -0.855 . . . . 0.0 111.929 -175.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -68.51 -45.52 72.06 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 122.318 1.056 . . . . 0.0 110.33 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -58.58 -39.92 93.9 Favored Glycine 0 C--O 1.208 -1.478 0 O-C-N 120.545 -1.347 . . . . 0.0 113.793 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.14 -16.87 56.01 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 120.056 -1.849 . . . . 0.0 113.569 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.25 -19.98 19.57 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 125.351 1.46 . . . . 0.0 113.932 173.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 83.1 t -114.54 -36.18 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.556 1.142 . . . . 0.0 112.519 -170.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.5 mt -100.89 -48.45 4.46 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 124.624 1.17 . . . . 0.0 111.174 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 41.5 t80 . . . . . 0 C--O 1.255 1.386 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -174.217 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -130.53 -55.98 1.08 Allowed 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 123.801 0.84 . . . . 0.0 112.207 -169.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -18.09 37.68 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.303 -1.498 . . . . 0.0 113.052 175.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 44.1 m -60.79 -58.1 9.86 Favored 'General case' 0 C--O 1.214 -0.778 0 C-N-CA 129.135 2.974 . . . . 0.0 112.897 169.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.43 -39.17 62.77 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.289 -0.882 . . . . 0.0 111.653 -173.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -73.88 -46.98 41.33 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.765 0.793 . . . . 0.0 110.207 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.99 -38.97 91.16 Favored Glycine 0 C--O 1.212 -1.273 0 O-C-N 120.661 -1.274 . . . . 0.0 113.515 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.67 -14.64 59.2 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 119.421 -2.223 . . . . 0.0 113.688 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -98.62 -18.72 17.95 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 125.339 1.456 . . . . 0.0 113.782 173.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 71.6 t -113.98 -36.5 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.74 1.216 . . . . 0.0 111.948 -170.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.05 -47.83 4.43 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 125.041 1.336 . . . . 0.0 110.852 -175.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 C--O 1.254 1.308 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -174.832 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.215 -0.73 0 CA-C-O 121.206 0.527 . . . . 0.0 112.135 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -123.34 -51.93 1.85 Allowed 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 124.371 1.068 . . . . 0.0 110.811 -163.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -18.08 17.93 Favored 'General case' 0 C--O 1.209 -1.027 0 O-C-N 120.669 -1.269 . . . . 0.0 113.36 172.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 34.8 m -58.05 -60.02 4.38 Favored 'General case' 0 C--O 1.215 -0.759 0 C-N-CA 127.768 2.427 . . . . 0.0 112.957 166.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -74.37 -41.42 61.03 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.193 -0.942 . . . . 0.0 112.456 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -66.63 -44.46 81.93 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 121.069 -1.02 . . . . 0.0 110.122 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.56 -40.65 92.76 Favored Glycine 0 C--O 1.209 -1.409 0 O-C-N 120.702 -1.249 . . . . 0.0 113.583 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.69 -16.17 57.6 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 119.792 -2.004 . . . . 0.0 113.732 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.89 -19.09 19.82 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 125.683 1.593 . . . . 0.0 114.17 173.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 78.5 t -114.91 -36.55 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.342 1.057 . . . . 0.0 112.398 -170.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.5 mt -101.66 -48.26 4.36 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 124.695 1.198 . . . . 0.0 111.05 -174.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 45.2 t80 . . . . . 0 C--O 1.254 1.339 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -175.521 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.724 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -119.95 -53.99 2.15 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.201 1.0 . . . . 0.0 111.502 -166.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -19.16 47.28 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 120.156 -1.59 . . . . 0.0 112.998 175.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 43.0 m -60.68 -54.86 40.16 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 128.169 2.588 . . . . 0.0 113.527 169.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.63 -39.89 50.95 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 121.787 0.803 . . . . 0.0 111.313 -174.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -67.52 -45.37 75.98 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-O 121.794 0.807 . . . . 0.0 110.07 174.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -55.14 -39.89 72.29 Favored Glycine 0 C--O 1.21 -1.405 0 CA-C-O 122.902 1.279 . . . . 0.0 113.444 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.01 -15.77 57.79 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 119.368 -2.254 . . . . 0.0 113.861 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.92 -19.2 18.98 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 125.156 1.382 . . . . 0.0 113.867 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 71.8 t -114.19 -36.45 2.34 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.647 0 C-N-CA 124.928 1.291 . . . . 0.0 111.976 -170.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.8 mt -101.48 -47.55 4.63 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.811 1.244 . . . . 0.0 111.213 -175.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--O 1.253 1.266 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -176.582 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.217 -0.621 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -116.52 -46.17 2.78 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 124.795 1.238 . . . . 0.0 111.347 -170.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -18.03 22.41 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.434 -1.417 . . . . 0.0 113.577 172.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.0 m -57.4 -57.4 12.84 Favored 'General case' 0 C--O 1.214 -0.788 0 C-N-CA 127.852 2.461 . . . . 0.0 113.138 167.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -76.59 -40.47 49.47 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.281 -0.887 . . . . 0.0 111.783 -174.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -65.86 -46.79 77.15 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-O 122.363 1.078 . . . . 0.0 110.389 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.45 -40.38 92.1 Favored Glycine 0 C--O 1.208 -1.498 0 O-C-N 120.814 -1.179 . . . . 0.0 113.467 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.43 -17.33 54.52 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 119.792 -2.004 . . . . 0.0 113.834 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.31 -19.65 19.8 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 125.386 1.474 . . . . 0.0 113.769 174.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 80.5 t -113.79 -37.48 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.914 1.285 . . . . 0.0 111.935 -170.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mt -101.46 -48.35 4.38 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 124.987 1.315 . . . . 0.0 111.06 -174.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 38.4 t80 . . . . . 0 C--O 1.254 1.303 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -173.468 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -135.74 -50.12 0.71 Allowed 'General case' 0 C--O 1.212 -0.902 0 C-N-CA 123.693 0.797 . . . . 0.0 111.719 -172.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -15.15 31.89 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 120.446 -1.408 . . . . 0.0 113.832 174.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 53.8 m -55.87 -58.59 7.21 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 128.222 2.609 . . . . 0.0 113.603 163.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.01 -40.31 31.79 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.137 -0.977 . . . . 0.0 111.789 -173.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -65.72 -44.52 85.79 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-O 121.954 0.883 . . . . 0.0 110.165 174.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -58.39 -39.95 93.51 Favored Glycine 0 C--O 1.208 -1.53 0 CA-C-O 123.064 1.369 . . . . 0.0 113.557 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -77.79 -15.24 59.24 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 119.533 -2.157 . . . . 0.0 113.961 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.16 -19.39 18.67 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 125.283 1.433 . . . . 0.0 114.204 172.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 75.6 t -114.89 -36.2 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.473 1.109 . . . . 0.0 111.759 -169.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mt -101.22 -48.74 4.29 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 125.268 1.427 . . . . 0.0 110.482 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 48.8 t80 . . . . . 0 C--O 1.254 1.32 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -176.572 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.643 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -114.79 -46.79 2.92 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 125.017 1.327 . . . . 0.0 111.402 -170.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -17.54 25.61 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 120.71 -1.244 . . . . 0.0 113.052 174.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 37.0 m -59.82 -55.08 38.68 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 128.077 2.551 . . . . 0.0 113.626 168.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -78.7 -40.75 32.92 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.717 0.77 . . . . 0.0 111.348 -174.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -67.89 -46.58 71.22 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 122.131 0.967 . . . . 0.0 110.378 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.96 -39.72 92.23 Favored Glycine 0 C--O 1.21 -1.375 0 O-C-N 120.831 -1.168 . . . . 0.0 113.587 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.36 -16.67 55.9 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 119.825 -1.985 . . . . 0.0 113.52 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.06 -18.91 19.84 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.567 1.547 . . . . 0.0 113.92 173.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 75.6 t -114.88 -36.01 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.732 1.213 . . . . 0.0 112.098 -170.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.0 -48.85 4.11 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 124.895 1.278 . . . . 0.0 111.113 -174.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 43.4 t80 . . . . . 0 C--O 1.254 1.311 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -173.666 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -126.78 -53.46 1.43 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.97 0.908 . . . . 0.0 112.285 -165.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -16.75 40.48 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-O 122.724 1.249 . . . . 0.0 113.086 173.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 63.8 m -56.23 -61.93 2.06 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 128.31 2.644 . . . . 0.0 112.93 165.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.12 -41.29 64.15 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.351 -0.843 . . . . 0.0 111.989 -174.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -67.38 -44.4 79.01 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 122.403 1.097 . . . . 0.0 110.338 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.81 -41.11 90.67 Favored Glycine 0 C--O 1.208 -1.472 0 O-C-N 120.526 -1.359 . . . . 0.0 112.874 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.61 -17.17 56.46 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 119.271 -2.311 . . . . 0.0 113.96 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -94.93 -19.74 19.99 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 125.183 1.393 . . . . 0.0 114.01 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 82.3 t -113.72 -37.12 2.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 C-N-CA 124.64 1.176 . . . . 0.0 111.962 -170.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mt -100.59 -48.44 4.52 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 124.963 1.305 . . . . 0.0 111.295 -174.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 C--O 1.252 1.204 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -174.237 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 121.439 0.637 . . . . 0.0 112.643 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -122.1 -47.41 2.15 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 124.835 1.254 . . . . 0.0 111.465 -170.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -18.07 15.75 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.256 -1.528 . . . . 0.0 113.352 172.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 27.6 m -57.87 -58.71 7.21 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 128.079 2.551 . . . . 0.0 113.12 166.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -74.14 -40.69 62.45 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.328 -0.857 . . . . 0.0 111.567 -174.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -66.36 -46.31 77.17 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 122.078 0.942 . . . . 0.0 110.095 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.73 -40.71 89.33 Favored Glycine 0 C--O 1.213 -1.184 0 CA-C-O 123.042 1.357 . . . . 0.0 113.607 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.87 -14.74 58.43 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 119.979 -1.894 . . . . 0.0 113.84 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.1 -19.91 18.36 Favored 'General case' 0 C--O 1.215 -0.752 0 C-N-CA 125.61 1.564 . . . . 0.0 113.984 172.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 74.9 t -114.72 -35.44 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.606 1.162 . . . . 0.0 112.33 -170.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.31 -49.18 4.14 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 124.929 1.291 . . . . 0.0 111.024 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 42.1 t80 . . . . . 0 C--O 1.252 1.2 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.795 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.538 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -110.01 -45.18 3.65 Favored 'General case' 0 C--O 1.212 -0.914 0 C-N-CA 125.229 1.412 . . . . 0.0 111.488 -171.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -16.85 15.22 Favored 'General case' 0 C--O 1.209 -1.026 0 O-C-N 120.612 -1.305 . . . . 0.0 112.974 174.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 30.2 m -61.89 -57.29 12.33 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 128.036 2.535 . . . . 0.0 112.501 169.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -76.79 -40.38 48.33 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.358 -0.839 . . . . 0.0 111.839 -173.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -69.95 -47.32 62.81 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 122.331 1.063 . . . . 0.0 110.21 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -60.03 -38.59 94.49 Favored Glycine 0 C--O 1.208 -1.498 0 O-C-N 120.863 -1.148 . . . . 0.0 113.434 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.7 -15.6 58.27 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 119.995 -1.885 . . . . 0.0 113.712 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.71 -19.86 18.66 Favored 'General case' 0 C--O 1.214 -0.804 0 C-N-CA 125.231 1.412 . . . . 0.0 114.226 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 73.3 t -113.42 -36.2 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.711 1.204 . . . . 0.0 112.17 -170.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.93 -48.37 4.28 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 125.288 1.435 . . . . 0.0 111.424 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 39.4 t80 . . . . . 0 C--O 1.253 1.276 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -175.89 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.215 -0.749 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -131.11 -54.85 1.04 Allowed 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 123.799 0.84 . . . . 0.0 111.216 -163.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -15.19 35.39 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 120.398 -1.439 . . . . 0.0 113.229 173.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 58.7 m -58.92 -60.0 4.56 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 128.454 2.701 . . . . 0.0 113.054 165.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -73.83 -41.12 62.75 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.288 -0.883 . . . . 0.0 111.529 -173.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -69.58 -45.97 67.42 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-O 122.164 0.983 . . . . 0.0 109.994 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.51 -40.98 88.16 Favored Glycine 0 C--O 1.211 -1.289 0 CA-C-O 123.12 1.4 . . . . 0.0 113.476 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.05 -16.1 57.29 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 119.604 -2.115 . . . . 0.0 113.946 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.11 -20.36 18.7 Favored 'General case' 0 C--O 1.216 -0.665 0 C-N-CA 125.448 1.499 . . . . 0.0 114.149 172.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 79.5 t -112.8 -36.61 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.836 1.254 . . . . 0.0 111.97 -171.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mt -101.04 -48.56 4.39 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 124.754 1.222 . . . . 0.0 110.978 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 45.3 t80 . . . . . 0 C--O 1.254 1.297 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -175.3 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.216 -0.659 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -131.82 -52.0 0.98 Allowed 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 124.138 0.975 . . . . 0.0 112.536 -166.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -16.73 16.59 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 123.141 1.448 . . . . 0.0 113.184 172.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 30.7 m -61.93 -58.33 8.31 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 128.772 2.829 . . . . 0.0 112.55 169.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -74.1 -40.67 62.54 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 122.085 0.945 . . . . 0.0 111.591 -173.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -72.26 -49.1 37.55 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 122.341 1.067 . . . . 0.0 110.584 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.97 -34.42 89.89 Favored Glycine 0 C--O 1.208 -1.509 0 O-C-N 120.781 -1.199 . . . . 0.0 113.817 -174.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -77.35 -15.94 59.15 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 119.647 -2.09 . . . . 0.0 113.363 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.97 -15.51 20.07 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 125.681 1.592 . . . . 0.0 114.086 172.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 70.5 t -117.48 -34.92 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.564 1.145 . . . . 0.0 112.234 -170.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.11 -48.89 3.75 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 125.438 1.495 . . . . 0.0 111.05 -175.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 39.0 t80 . . . . . 0 C--O 1.254 1.336 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -172.19 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.218 -0.559 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -113.39 -44.87 3.18 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 125.263 1.425 . . . . 0.0 111.1 -171.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -17.72 34.49 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 119.956 -1.715 . . . . 0.0 112.649 174.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.0 m -54.54 -59.29 4.9 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 128.097 2.559 . . . . 0.0 113.094 164.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.14 -41.99 48.2 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 122.137 0.97 . . . . 0.0 111.444 -172.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -66.93 -46.71 73.93 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 121.269 -0.894 . . . . 0.0 110.025 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -59.17 -41.03 96.47 Favored Glycine 0 C--O 1.209 -1.412 0 O-C-N 120.778 -1.201 . . . . 0.0 113.728 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.69 -16.15 57.63 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 119.784 -2.01 . . . . 0.0 113.289 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.07 -18.63 20.04 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 124.644 1.178 . . . . 0.0 113.672 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 73.3 t -115.24 -35.88 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.322 1.049 . . . . 0.0 111.954 -170.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.58 -48.55 4.29 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 124.835 1.254 . . . . 0.0 110.946 -174.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 C--O 1.252 1.186 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -174.187 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.216 -0.679 0 CA-C-O 121.057 0.456 . . . . 0.0 112.103 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -112.94 -43.76 3.37 Favored 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 125.095 1.358 . . . . 0.0 111.482 -172.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -17.76 41.02 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 120.296 -1.503 . . . . 0.0 112.797 175.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 28.3 m -58.08 -55.46 34.69 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 128.052 2.541 . . . . 0.0 113.114 166.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -78.42 -41.98 31.41 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.757 0.789 . . . . 0.0 111.771 -174.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -65.53 -45.14 84.6 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-O 122.079 0.942 . . . . 0.0 110.005 175.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.93 -40.22 92.89 Favored Glycine 0 C--O 1.211 -1.31 0 CA-C-O 122.934 1.297 . . . . 0.0 113.615 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -77.76 -15.82 58.85 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 119.431 -2.217 . . . . 0.0 114.035 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.65 -17.44 19.47 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 125.158 1.383 . . . . 0.0 114.231 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 73.7 t -116.0 -36.06 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.563 1.145 . . . . 0.0 112.04 -170.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.6 mt -101.18 -48.81 4.28 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 124.83 1.252 . . . . 0.0 110.776 -175.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 49.9 t80 . . . . . 0 C--O 1.257 1.495 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -176.702 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.218 -0.604 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -110.51 -49.47 3.05 Favored 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 124.965 1.306 . . . . 0.0 111.248 -171.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -16.96 26.24 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 123.045 1.402 . . . . 0.0 112.793 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 33.1 m -59.69 -55.31 35.91 Favored 'General case' 0 C--O 1.218 -0.563 0 C-N-CA 127.603 2.361 . . . . 0.0 113.184 168.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -77.27 -40.57 44.2 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.121 -0.987 . . . . 0.0 111.831 -174.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -68.34 -47.73 66.71 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-O 122.672 1.225 . . . . 0.0 110.292 176.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -59.37 -38.65 93.7 Favored Glycine 0 C--O 1.212 -1.224 0 CA-C-O 122.657 1.143 . . . . 0.0 113.827 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.14 -18.96 52.2 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 119.531 -2.158 . . . . 0.0 113.423 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -93.94 -18.76 21.58 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 124.983 1.313 . . . . 0.0 113.862 174.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 80.8 t -115.35 -35.59 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.591 1.157 . . . . 0.0 112.66 -170.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mt -103.27 -49.3 3.76 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.727 1.211 . . . . 0.0 111.197 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 30.8 t80 . . . . . 0 C--O 1.253 1.282 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -170.804 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.216 -0.682 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -112.49 -48.84 2.99 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 124.453 1.101 . . . . 0.0 110.255 -169.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -15.66 31.59 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.496 -1.377 . . . . 0.0 113.648 176.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 28.9 m -63.09 -56.79 13.85 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 127.539 2.336 . . . . 0.0 112.234 168.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -77.0 -40.8 45.31 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 121.876 0.845 . . . . 0.0 111.796 -173.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -68.91 -46.12 69.12 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 122.203 1.001 . . . . 0.0 110.439 176.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.96 -39.89 92.48 Favored Glycine 0 C--O 1.208 -1.475 0 CA-C-O 122.863 1.257 . . . . 0.0 114.054 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.88 -17.22 53.69 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 119.919 -1.93 . . . . 0.0 113.669 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -94.83 -20.06 19.78 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 125.331 1.452 . . . . 0.0 113.724 173.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 82.8 t -114.74 -36.34 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.333 1.053 . . . . 0.0 112.34 -170.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -100.72 -49.27 4.22 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 124.522 1.129 . . . . 0.0 111.399 -175.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--O 1.253 1.269 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -172.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.711 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -109.64 -52.9 2.72 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.395 1.478 . . . . 0.0 110.195 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -18.9 35.31 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.78 -1.2 . . . . 0.0 113.484 177.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.4 m -63.18 -55.35 25.83 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 127.676 2.39 . . . . 0.0 112.564 170.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -74.91 -40.82 60.65 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-O 121.631 0.729 . . . . 0.0 111.562 -174.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -67.58 -46.18 73.41 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 122.113 0.958 . . . . 0.0 110.374 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -54.98 -40.51 73.5 Favored Glycine 0 C--O 1.208 -1.494 0 CA-C-O 122.509 1.061 . . . . 0.0 113.868 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -80.95 -19.92 43.12 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 119.645 -2.091 . . . . 0.0 113.629 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -92.97 -19.69 21.35 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 125.21 1.404 . . . . 0.0 113.516 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 99.4 t -113.75 -37.31 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.916 1.287 . . . . 0.0 112.533 -172.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.1 mt -101.54 -48.81 4.21 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 122.177 0.989 . . . . 0.0 111.372 -173.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 23.9 t80 . . . . . 0 C--O 1.254 1.312 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -172.339 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.591 0 CA-C-O 121.302 0.572 . . . . 0.0 112.18 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -116.99 -44.47 2.81 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 125.525 1.53 . . . . 0.0 111.673 -172.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -17.36 35.23 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 120.047 -1.658 . . . . 0.0 112.843 174.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 32.4 m -57.86 -57.89 10.81 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 128.098 2.559 . . . . 0.0 113.428 165.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.96 -41.04 52.64 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.261 -0.899 . . . . 0.0 112.049 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -67.59 -44.77 77.34 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 121.86 0.838 . . . . 0.0 110.462 176.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.95 -41.29 91.95 Favored Glycine 0 C--O 1.211 -1.325 0 CA-C-O 123.031 1.35 . . . . 0.0 113.673 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -80.27 -15.99 55.71 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 119.737 -2.037 . . . . 0.0 113.092 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.16 -20.12 19.51 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 125.146 1.378 . . . . 0.0 114.303 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 76.1 t -113.79 -36.88 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.268 1.027 . . . . 0.0 112.126 -170.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.36 -48.24 4.65 Favored 'General case' 0 C--O 1.213 -0.835 0 C-N-CA 124.548 1.139 . . . . 0.0 110.866 -174.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 44.4 t80 . . . . . 0 C--O 1.254 1.34 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -174.586 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.594 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -118.03 -52.38 2.42 Favored 'General case' 0 C--O 1.213 -0.822 0 C-N-CA 124.442 1.097 . . . . 0.0 110.779 -167.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -17.05 41.31 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 122.802 1.286 . . . . 0.0 113.142 176.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.8 m -59.15 -57.62 12.24 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 127.608 2.363 . . . . 0.0 113.191 166.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -77.19 -41.17 42.55 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.247 -0.908 . . . . 0.0 111.787 -173.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -66.4 -45.2 80.76 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 122.003 0.906 . . . . 0.0 109.869 175.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.03 -40.74 91.8 Favored Glycine 0 C--O 1.21 -1.361 0 CA-C-O 122.984 1.324 . . . . 0.0 113.231 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.25 -18.02 53.61 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 119.483 -2.187 . . . . 0.0 113.884 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.25 -18.89 20.47 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.134 1.374 . . . . 0.0 113.961 175.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.06 -36.65 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.761 1.224 . . . . 0.0 112.457 -172.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mt -101.45 -48.03 4.48 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 124.215 1.006 . . . . 0.0 111.439 -174.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 41.4 t80 . . . . . 0 C--O 1.251 1.184 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -173.462 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.217 -0.611 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -129.99 -55.04 1.13 Allowed 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 123.668 0.787 . . . . 0.0 112.015 -164.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -18.48 26.36 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 123.499 1.619 . . . . 0.0 113.229 174.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 39.4 m -61.99 -57.69 10.72 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 128.445 2.698 . . . . 0.0 113.11 169.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.33 -40.99 61.84 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.187 -0.946 . . . . 0.0 111.557 -173.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.07 -48.67 51.23 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 122.428 1.109 . . . . 0.0 110.067 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -55.93 -40.3 81.23 Favored Glycine 0 C--O 1.212 -1.241 0 CA-C-O 122.739 1.188 . . . . 0.0 114.166 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -80.72 -17.84 49.74 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 119.82 -1.988 . . . . 0.0 113.587 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -94.91 -20.68 19.2 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 124.707 1.203 . . . . 0.0 113.033 175.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 95.7 t -112.69 -36.61 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.423 1.089 . . . . 0.0 112.155 -171.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.0 mt -101.4 -48.05 4.48 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.257 1.023 . . . . 0.0 111.08 -174.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 36.9 t80 . . . . . 0 C--O 1.256 1.404 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -172.568 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 1 N--CA 1.54 4.071 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 49.4 t -60.82 145.77 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-O 122.747 1.26 . . . . 0.0 110.25 172.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -89.0 -50.23 6.3 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.509 1.124 . . . . 0.0 111.82 -169.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.47 -32.25 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 124.962 1.305 . . . . 0.0 112.332 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -140.38 138.5 34.85 Favored 'General case' 0 C--O 1.216 -0.675 0 C-N-CA 125.138 1.375 . . . . 0.0 110.052 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.34 -55.9 0.85 Allowed 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 125.178 1.391 . . . . 0.0 109.767 175.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -57.56 127.61 32.89 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 125.57 1.548 . . . . 0.0 113.072 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 51.2 mt 62.05 20.01 11.26 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.344 1.858 . . . . 0.0 113.272 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.02 -87.91 0.63 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.067 1.347 . . . . 0.0 112.742 -162.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -116.04 -48.4 2.74 Favored 'General case' 0 C--O 1.214 -0.793 0 C-N-CA 125.586 1.555 . . . . 0.0 111.109 -173.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -18.45 30.96 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.481 -1.387 . . . . 0.0 113.183 175.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.3 m -60.97 -54.83 40.16 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 127.746 2.418 . . . . 0.0 112.963 169.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -76.83 -41.38 44.47 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.332 -0.855 . . . . 0.0 111.929 -175.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -68.51 -45.52 72.06 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 122.318 1.056 . . . . 0.0 110.33 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -58.58 -39.92 93.9 Favored Glycine 0 C--O 1.208 -1.478 0 O-C-N 120.545 -1.347 . . . . 0.0 113.793 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.14 -16.87 56.01 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 120.056 -1.849 . . . . 0.0 113.569 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.25 -19.98 19.57 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 125.351 1.46 . . . . 0.0 113.932 173.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 83.1 t -114.54 -36.18 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.556 1.142 . . . . 0.0 112.519 -170.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.5 mt -100.89 -48.45 4.46 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 124.624 1.17 . . . . 0.0 111.174 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 41.5 t80 . . . . . 0 C--O 1.255 1.386 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -174.217 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.536 3.827 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.66 145.93 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-O 122.743 1.258 . . . . 0.0 109.665 172.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -86.9 -55.35 3.88 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 125.367 1.467 . . . . 0.0 111.537 -171.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.87 -18.01 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -173.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -151.81 141.43 21.76 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 125.06 1.344 . . . . 0.0 109.989 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.8 -51.5 0.46 Allowed 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.51 1.524 . . . . 0.0 110.473 178.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -72.14 130.46 40.92 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 125.145 1.378 . . . . 0.0 113.278 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 47.1 mt 63.14 24.54 14.47 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.502 1.921 . . . . 0.0 112.035 -172.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.81 -68.46 0.48 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.752 1.221 . . . . 0.0 113.557 -161.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -130.53 -55.98 1.08 Allowed 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 123.801 0.84 . . . . 0.0 112.207 -169.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -18.09 37.68 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.303 -1.498 . . . . 0.0 113.052 175.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 44.1 m -60.79 -58.1 9.86 Favored 'General case' 0 C--O 1.214 -0.778 0 C-N-CA 129.135 2.974 . . . . 0.0 112.897 169.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.43 -39.17 62.77 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.289 -0.882 . . . . 0.0 111.653 -173.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -73.88 -46.98 41.33 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.765 0.793 . . . . 0.0 110.207 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.99 -38.97 91.16 Favored Glycine 0 C--O 1.212 -1.273 0 O-C-N 120.661 -1.274 . . . . 0.0 113.515 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.67 -14.64 59.2 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 119.421 -2.223 . . . . 0.0 113.688 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -98.62 -18.72 17.95 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 125.339 1.456 . . . . 0.0 113.782 173.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 71.6 t -113.98 -36.5 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.74 1.216 . . . . 0.0 111.948 -170.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.05 -47.83 4.43 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 125.041 1.336 . . . . 0.0 110.852 -175.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 C--O 1.254 1.308 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -174.832 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 N--CA 1.534 3.764 0 CA-C-O 120.548 0.214 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.95 146.37 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-O 122.89 1.329 . . . . 0.0 111.206 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.41 -47.95 6.9 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.634 1.574 . . . . 0.0 112.46 -173.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.06 -36.19 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.392 1.477 . . . . 0.0 112.319 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -137.8 134.08 34.78 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 125.185 1.394 . . . . 0.0 110.262 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.52 -51.42 1.0 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.423 1.489 . . . . 0.0 110.431 175.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -57.59 125.68 23.98 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 125.54 1.536 . . . . 0.0 112.622 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 7.2 mp 58.74 27.44 15.95 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.934 1.694 . . . . 0.0 112.358 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.12 -78.81 0.54 Allowed 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 125.639 1.576 . . . . 0.0 112.135 -167.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -123.34 -51.93 1.85 Allowed 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 124.371 1.068 . . . . 0.0 110.811 -163.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -18.08 17.93 Favored 'General case' 0 C--O 1.209 -1.027 0 O-C-N 120.669 -1.269 . . . . 0.0 113.36 172.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 34.8 m -58.05 -60.02 4.38 Favored 'General case' 0 C--O 1.215 -0.759 0 C-N-CA 127.768 2.427 . . . . 0.0 112.957 166.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -74.37 -41.42 61.03 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.193 -0.942 . . . . 0.0 112.456 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -66.63 -44.46 81.93 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 121.069 -1.02 . . . . 0.0 110.122 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.56 -40.65 92.76 Favored Glycine 0 C--O 1.209 -1.409 0 O-C-N 120.702 -1.249 . . . . 0.0 113.583 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.69 -16.17 57.6 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 119.792 -2.004 . . . . 0.0 113.732 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.89 -19.09 19.82 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 125.683 1.593 . . . . 0.0 114.17 173.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 78.5 t -114.91 -36.55 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.342 1.057 . . . . 0.0 112.398 -170.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.5 mt -101.66 -48.26 4.36 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 124.695 1.198 . . . . 0.0 111.05 -174.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 45.2 t80 . . . . . 0 C--O 1.254 1.339 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -175.521 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 1 N--CA 1.543 4.19 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 61.1 t -65.27 144.72 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-O 122.899 1.333 . . . . 0.0 109.186 172.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -87.81 -52.38 5.33 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.72 1.208 . . . . 0.0 111.356 -169.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 86.5 t -66.99 -34.25 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 125.85 1.66 . . . . 0.0 111.979 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -142.09 137.49 31.02 Favored 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 124.788 1.235 . . . . 0.0 110.466 -175.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.77 -52.3 0.74 Allowed 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 125.712 1.605 . . . . 0.0 110.715 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -73.29 132.3 42.95 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.516 1.526 . . . . 0.0 113.295 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 53.6 mt 59.39 27.8 17.0 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.921 1.688 . . . . 0.0 112.106 -171.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.71 -80.35 0.36 Allowed 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 125.593 1.557 . . . . 0.0 112.487 -164.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -119.95 -53.99 2.15 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.201 1.0 . . . . 0.0 111.502 -166.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -19.16 47.28 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 120.156 -1.59 . . . . 0.0 112.998 175.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 43.0 m -60.68 -54.86 40.16 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 128.169 2.588 . . . . 0.0 113.527 169.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.63 -39.89 50.95 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 121.787 0.803 . . . . 0.0 111.313 -174.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -67.52 -45.37 75.98 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-O 121.794 0.807 . . . . 0.0 110.07 174.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -55.14 -39.89 72.29 Favored Glycine 0 C--O 1.21 -1.405 0 CA-C-O 122.902 1.279 . . . . 0.0 113.444 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.01 -15.77 57.79 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 119.368 -2.254 . . . . 0.0 113.861 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.92 -19.2 18.98 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 125.156 1.382 . . . . 0.0 113.867 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 71.8 t -114.19 -36.45 2.34 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.647 0 C-N-CA 124.928 1.291 . . . . 0.0 111.976 -170.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.8 mt -101.48 -47.55 4.63 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.811 1.244 . . . . 0.0 111.213 -175.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--O 1.253 1.266 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -176.582 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . 0.279 0.0 OUTLIER . . . . . 0 N--CA 1.529 3.518 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 48.9 t -48.17 146.46 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 127.108 2.163 . . . . 0.0 113.348 -176.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.06 -45.72 8.54 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.656 1.582 . . . . 0.0 113.168 -172.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 26.9 m -75.15 -16.64 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.154 1.382 . . . . 0.0 113.881 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -155.69 145.3 21.14 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 125.549 1.54 . . . . 0.0 110.293 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -139.06 -53.9 0.58 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.218 1.407 . . . . 0.0 110.874 174.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -69.59 127.75 34.08 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.345 1.058 . . . . 0.0 113.03 -173.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 11.9 tp 58.67 32.51 22.26 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.518 1.927 . . . . 0.0 111.653 -171.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.62 -88.54 0.4 Allowed 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 124.589 1.156 . . . . 0.0 112.598 -166.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -116.52 -46.17 2.78 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 124.795 1.238 . . . . 0.0 111.347 -170.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -18.03 22.41 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.434 -1.417 . . . . 0.0 113.577 172.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.0 m -57.4 -57.4 12.84 Favored 'General case' 0 C--O 1.214 -0.788 0 C-N-CA 127.852 2.461 . . . . 0.0 113.138 167.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -76.59 -40.47 49.47 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.281 -0.887 . . . . 0.0 111.783 -174.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -65.86 -46.79 77.15 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-O 122.363 1.078 . . . . 0.0 110.389 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.45 -40.38 92.1 Favored Glycine 0 C--O 1.208 -1.498 0 O-C-N 120.814 -1.179 . . . . 0.0 113.467 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.43 -17.33 54.52 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 119.792 -2.004 . . . . 0.0 113.834 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.31 -19.65 19.8 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 125.386 1.474 . . . . 0.0 113.769 174.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 80.5 t -113.79 -37.48 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.914 1.285 . . . . 0.0 111.935 -170.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mt -101.46 -48.35 4.38 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 124.987 1.315 . . . . 0.0 111.06 -174.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 38.4 t80 . . . . . 0 C--O 1.254 1.303 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -173.468 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.537 3.89 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.04 143.65 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-O 123.08 1.419 . . . . 0.0 110.196 173.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -45.31 63.22 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -165.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.36 -6.27 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -171.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -153.52 113.7 3.95 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 120.988 -1.07 . . . . 0.0 110.088 -173.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -126.76 -54.44 1.42 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.916 1.286 . . . . 0.0 110.587 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -64.54 119.81 11.15 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 126.275 1.83 . . . . 0.0 112.527 -173.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 11.5 tp 59.41 31.86 21.38 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.248 1.819 . . . . 0.0 112.038 -176.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.8 -60.51 0.59 Allowed 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -163.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -135.74 -50.12 0.71 Allowed 'General case' 0 C--O 1.212 -0.902 0 C-N-CA 123.693 0.797 . . . . 0.0 111.719 -172.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -15.15 31.89 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 120.446 -1.408 . . . . 0.0 113.832 174.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 53.8 m -55.87 -58.59 7.21 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 128.222 2.609 . . . . 0.0 113.603 163.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.01 -40.31 31.79 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.137 -0.977 . . . . 0.0 111.789 -173.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -65.72 -44.52 85.79 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-O 121.954 0.883 . . . . 0.0 110.165 174.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -58.39 -39.95 93.51 Favored Glycine 0 C--O 1.208 -1.53 0 CA-C-O 123.064 1.369 . . . . 0.0 113.557 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -77.79 -15.24 59.24 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 119.533 -2.157 . . . . 0.0 113.961 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.16 -19.39 18.67 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 125.283 1.433 . . . . 0.0 114.204 172.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 75.6 t -114.89 -36.2 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.473 1.109 . . . . 0.0 111.759 -169.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mt -101.22 -48.74 4.29 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 125.268 1.427 . . . . 0.0 110.482 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 48.8 t80 . . . . . 0 C--O 1.254 1.32 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -176.572 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 1 N--CA 1.539 4.016 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 88.7 t -62.59 145.57 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-O 123.078 1.418 . . . . 0.0 109.993 174.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -73.2 -55.98 5.71 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 124.831 1.252 . . . . 0.0 111.978 -167.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 34.7 m -90.66 -11.13 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -170.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -149.7 129.95 13.7 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 124.491 1.116 . . . . 0.0 109.798 -175.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -133.84 -54.9 0.88 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.134 1.373 . . . . 0.0 110.408 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.29 125.25 22.98 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 125.302 1.441 . . . . 0.0 112.715 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 72.6 mt 57.62 34.03 24.0 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.215 1.806 . . . . 0.0 112.197 -174.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.7 -91.03 0.42 Allowed 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 125.553 1.541 . . . . 0.0 112.524 -169.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -114.79 -46.79 2.92 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 125.017 1.327 . . . . 0.0 111.402 -170.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -17.54 25.61 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 120.71 -1.244 . . . . 0.0 113.052 174.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 37.0 m -59.82 -55.08 38.68 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 128.077 2.551 . . . . 0.0 113.626 168.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -78.7 -40.75 32.92 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.717 0.77 . . . . 0.0 111.348 -174.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -67.89 -46.58 71.22 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 122.131 0.967 . . . . 0.0 110.378 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.96 -39.72 92.23 Favored Glycine 0 C--O 1.21 -1.375 0 O-C-N 120.831 -1.168 . . . . 0.0 113.587 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.36 -16.67 55.9 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 119.825 -1.985 . . . . 0.0 113.52 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.06 -18.91 19.84 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.567 1.547 . . . . 0.0 113.92 173.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 75.6 t -114.88 -36.01 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.732 1.213 . . . . 0.0 112.098 -170.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.0 -48.85 4.11 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 124.895 1.278 . . . . 0.0 111.113 -174.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 43.4 t80 . . . . . 0 C--O 1.254 1.311 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -173.666 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.537 3.91 0 N-CA-C 111.517 0.191 . . . . 0.0 111.517 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 49.8 t -60.64 143.33 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-O 123.04 1.4 . . . . 0.0 111.902 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -88.57 -49.61 6.79 Favored 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 125.444 1.498 . . . . 0.0 111.668 -170.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 28.0 m -70.06 -19.68 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -154.65 118.82 4.72 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 124.461 1.104 . . . . 0.0 111.013 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.53 -51.85 2.67 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 124.965 1.306 . . . . 0.0 111.064 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -82.26 133.26 35.24 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 125.759 1.624 . . . . 0.0 114.041 -170.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 13.0 tp 56.47 37.95 29.25 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.68 1.592 . . . . 0.0 110.875 -170.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.77 -75.27 0.17 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.054 1.342 . . . . 0.0 112.667 -164.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -126.78 -53.46 1.43 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.97 0.908 . . . . 0.0 112.285 -165.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -16.75 40.48 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-O 122.724 1.249 . . . . 0.0 113.086 173.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 63.8 m -56.23 -61.93 2.06 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 128.31 2.644 . . . . 0.0 112.93 165.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.12 -41.29 64.15 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.351 -0.843 . . . . 0.0 111.989 -174.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -67.38 -44.4 79.01 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 122.403 1.097 . . . . 0.0 110.338 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.81 -41.11 90.67 Favored Glycine 0 C--O 1.208 -1.472 0 O-C-N 120.526 -1.359 . . . . 0.0 112.874 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.61 -17.17 56.46 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 119.271 -2.311 . . . . 0.0 113.96 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -94.93 -19.74 19.99 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 125.183 1.393 . . . . 0.0 114.01 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 82.3 t -113.72 -37.12 2.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 C-N-CA 124.64 1.176 . . . . 0.0 111.962 -170.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mt -100.59 -48.44 4.52 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 124.963 1.305 . . . . 0.0 111.295 -174.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 C--O 1.252 1.204 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -174.237 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.538 3.943 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 73.8 t -136.98 149.99 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 126.698 1.999 . . . . 0.0 108.806 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -78.49 -55.42 5.23 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.697 1.199 . . . . 0.0 111.878 -172.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 34.6 m -79.89 -14.64 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -170.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -151.23 142.78 23.57 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 125.182 1.393 . . . . 0.0 109.84 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -139.02 -50.92 0.53 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.149 1.38 . . . . 0.0 109.789 176.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -55.15 123.54 14.02 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.041 1.737 . . . . 0.0 112.578 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 53.8 mt 58.79 27.01 15.46 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.919 1.688 . . . . 0.0 112.961 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.22 -82.0 0.62 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.558 1.543 . . . . 0.0 112.643 -165.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -122.1 -47.41 2.15 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 124.835 1.254 . . . . 0.0 111.465 -170.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -18.07 15.75 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.256 -1.528 . . . . 0.0 113.352 172.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 27.6 m -57.87 -58.71 7.21 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 128.079 2.551 . . . . 0.0 113.12 166.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -74.14 -40.69 62.45 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.328 -0.857 . . . . 0.0 111.567 -174.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -66.36 -46.31 77.17 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 122.078 0.942 . . . . 0.0 110.095 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.73 -40.71 89.33 Favored Glycine 0 C--O 1.213 -1.184 0 CA-C-O 123.042 1.357 . . . . 0.0 113.607 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.87 -14.74 58.43 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 119.979 -1.894 . . . . 0.0 113.84 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.1 -19.91 18.36 Favored 'General case' 0 C--O 1.215 -0.752 0 C-N-CA 125.61 1.564 . . . . 0.0 113.984 172.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 74.9 t -114.72 -35.44 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.606 1.162 . . . . 0.0 112.33 -170.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.31 -49.18 4.14 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 124.929 1.291 . . . . 0.0 111.024 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 42.1 t80 . . . . . 0 C--O 1.252 1.2 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.795 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.539 3.987 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.33 143.99 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-O 122.545 1.164 . . . . 0.0 110.162 168.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -85.86 -47.75 9.39 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.153 0.981 . . . . 0.0 112.293 -167.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 34.9 m -82.91 -14.78 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -173.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -156.3 116.31 3.62 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 120.918 -1.114 . . . . 0.0 110.329 -175.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -120.66 -50.13 2.21 Favored 'General case' 0 C--O 1.214 -0.769 0 C-N-CA 125.264 1.425 . . . . 0.0 110.855 176.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -58.74 122.62 13.97 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.736 1.615 . . . . 0.0 112.016 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 9.5 mp 54.93 39.37 31.52 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.027 1.731 . . . . 0.0 111.494 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.05 -94.82 0.33 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.945 1.298 . . . . 0.0 112.349 -172.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -110.01 -45.18 3.65 Favored 'General case' 0 C--O 1.212 -0.914 0 C-N-CA 125.229 1.412 . . . . 0.0 111.488 -171.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -16.85 15.22 Favored 'General case' 0 C--O 1.209 -1.026 0 O-C-N 120.612 -1.305 . . . . 0.0 112.974 174.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 30.2 m -61.89 -57.29 12.33 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 128.036 2.535 . . . . 0.0 112.501 169.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -76.79 -40.38 48.33 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.358 -0.839 . . . . 0.0 111.839 -173.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -69.95 -47.32 62.81 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 122.331 1.063 . . . . 0.0 110.21 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -60.03 -38.59 94.49 Favored Glycine 0 C--O 1.208 -1.498 0 O-C-N 120.863 -1.148 . . . . 0.0 113.434 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.7 -15.6 58.27 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 119.995 -1.885 . . . . 0.0 113.712 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.71 -19.86 18.66 Favored 'General case' 0 C--O 1.214 -0.804 0 C-N-CA 125.231 1.412 . . . . 0.0 114.226 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 73.3 t -113.42 -36.2 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.711 1.204 . . . . 0.0 112.17 -170.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.93 -48.37 4.28 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 125.288 1.435 . . . . 0.0 111.424 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 39.4 t80 . . . . . 0 C--O 1.253 1.276 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -175.89 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 N--CA 1.533 3.72 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 88.7 t -144.96 146.47 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 127.787 2.435 . . . . 0.0 107.865 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -71.87 -59.83 2.55 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 124.213 1.005 . . . . 0.0 112.733 -166.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 33.1 m -91.9 -5.39 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.457 1.503 . . . . 0.0 114.648 -170.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -144.72 138.19 27.05 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 125.678 1.591 . . . . 0.0 110.196 -173.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . 0.425 ' HG2' ' H ' ' A' ' 538' ' ' LYS . 0.0 OUTLIER -150.06 -65.35 0.21 Allowed 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 125.06 1.344 . . . . 0.0 111.983 173.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . 0.425 ' H ' ' HG2' ' A' ' 537' ' ' ARG . 67.2 mttm -77.24 128.73 34.87 Favored 'General case' 0 C--O 1.215 -0.743 0 C-N-CA 125.256 1.422 . . . . 0.0 114.059 -173.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 56.7 mt 57.58 31.34 20.19 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.001 1.721 . . . . 0.0 111.709 -170.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -140.77 -69.31 0.39 Allowed 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 124.548 1.139 . . . . 0.0 113.678 -163.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -131.11 -54.85 1.04 Allowed 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 123.799 0.84 . . . . 0.0 111.216 -163.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -15.19 35.39 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 120.398 -1.439 . . . . 0.0 113.229 173.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 58.7 m -58.92 -60.0 4.56 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 128.454 2.701 . . . . 0.0 113.054 165.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -73.83 -41.12 62.75 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.288 -0.883 . . . . 0.0 111.529 -173.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -69.58 -45.97 67.42 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-O 122.164 0.983 . . . . 0.0 109.994 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.51 -40.98 88.16 Favored Glycine 0 C--O 1.211 -1.289 0 CA-C-O 123.12 1.4 . . . . 0.0 113.476 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.05 -16.1 57.29 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 119.604 -2.115 . . . . 0.0 113.946 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.11 -20.36 18.7 Favored 'General case' 0 C--O 1.216 -0.665 0 C-N-CA 125.448 1.499 . . . . 0.0 114.149 172.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 79.5 t -112.8 -36.61 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.836 1.254 . . . . 0.0 111.97 -171.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mt -101.04 -48.56 4.39 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 124.754 1.222 . . . . 0.0 110.978 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 45.3 t80 . . . . . 0 C--O 1.254 1.297 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -175.3 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 1 N--CA 1.539 4.022 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.46 142.88 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 C-N-CA 125.477 1.511 . . . . 0.0 112.565 -171.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -87.4 -49.94 6.89 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.785 1.234 . . . . 0.0 112.113 -171.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 29.2 m -71.98 -19.13 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -175.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -153.85 118.79 5.03 Favored 'General case' 0 C--O 1.216 -0.697 0 C-N-CA 124.607 1.163 . . . . 0.0 110.925 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -119.3 -52.58 2.27 Favored 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 125.676 1.59 . . . . 0.0 110.372 177.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -59.4 124.91 21.58 Favored 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 125.377 1.471 . . . . 0.0 112.889 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 51.4 mt 62.54 20.82 12.23 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.88 2.072 . . . . 0.0 113.288 -177.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.89 -69.31 0.78 Allowed 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 125.465 1.506 . . . . 0.0 113.096 -167.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -131.82 -52.0 0.98 Allowed 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 124.138 0.975 . . . . 0.0 112.536 -166.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -16.73 16.59 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 123.141 1.448 . . . . 0.0 113.184 172.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 30.7 m -61.93 -58.33 8.31 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 128.772 2.829 . . . . 0.0 112.55 169.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -74.1 -40.67 62.54 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 122.085 0.945 . . . . 0.0 111.591 -173.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -72.26 -49.1 37.55 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 122.341 1.067 . . . . 0.0 110.584 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.97 -34.42 89.89 Favored Glycine 0 C--O 1.208 -1.509 0 O-C-N 120.781 -1.199 . . . . 0.0 113.817 -174.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -77.35 -15.94 59.15 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 119.647 -2.09 . . . . 0.0 113.363 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.97 -15.51 20.07 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 125.681 1.592 . . . . 0.0 114.086 172.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 70.5 t -117.48 -34.92 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.564 1.145 . . . . 0.0 112.234 -170.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.11 -48.89 3.75 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 125.438 1.495 . . . . 0.0 111.05 -175.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 39.0 t80 . . . . . 0 C--O 1.254 1.336 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -172.19 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.537 3.898 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.79 144.26 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-O 122.978 1.371 . . . . 0.0 111.529 -176.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.58 -50.19 6.43 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 124.908 1.283 . . . . 0.0 112.212 -171.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 35.7 m -71.68 -18.07 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -175.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -154.62 122.44 5.85 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 124.576 1.151 . . . . 0.0 110.751 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.09 -51.94 2.32 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.557 1.543 . . . . 0.0 110.001 177.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.43 124.12 17.86 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.821 2.048 . . . . 0.0 112.125 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 64.1 mt 57.23 35.81 26.62 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.244 1.818 . . . . 0.0 111.939 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.98 -91.08 0.38 Allowed 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 124.521 1.128 . . . . 0.0 112.615 -167.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -113.39 -44.87 3.18 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 125.263 1.425 . . . . 0.0 111.1 -171.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -17.72 34.49 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 119.956 -1.715 . . . . 0.0 112.649 174.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.0 m -54.54 -59.29 4.9 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 128.097 2.559 . . . . 0.0 113.094 164.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.14 -41.99 48.2 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 122.137 0.97 . . . . 0.0 111.444 -172.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -66.93 -46.71 73.93 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 121.269 -0.894 . . . . 0.0 110.025 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -59.17 -41.03 96.47 Favored Glycine 0 C--O 1.209 -1.412 0 O-C-N 120.778 -1.201 . . . . 0.0 113.728 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.69 -16.15 57.63 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 119.784 -2.01 . . . . 0.0 113.289 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.07 -18.63 20.04 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 124.644 1.178 . . . . 0.0 113.672 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 73.3 t -115.24 -35.88 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.322 1.049 . . . . 0.0 111.954 -170.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.58 -48.55 4.29 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 124.835 1.254 . . . . 0.0 110.946 -174.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 C--O 1.252 1.186 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -174.187 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 1 N--CA 1.54 4.054 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 79.2 t -69.02 152.07 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.337 1.455 . . . . 0.0 110.256 176.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -81.21 -42.13 21.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.163 1.385 . . . . 0.0 113.189 -167.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 35.8 m -88.55 -15.98 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.508 1.523 . . . . 0.0 114.406 -176.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -159.26 151.21 20.77 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.547 1.139 . . . . 0.0 111.471 -173.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -137.35 -55.37 0.7 Allowed 'General case' 0 C--O 1.212 -0.905 0 C-N-CA 125.919 1.688 . . . . 0.0 109.829 169.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -59.93 125.59 24.24 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 125.835 1.654 . . . . 0.0 112.956 -175.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 12.6 tp 54.76 37.41 28.37 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.298 1.839 . . . . 0.0 112.267 -175.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.86 -91.11 0.36 Allowed 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 124.785 1.234 . . . . 0.0 112.103 -168.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -112.94 -43.76 3.37 Favored 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 125.095 1.358 . . . . 0.0 111.482 -172.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -17.76 41.02 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 120.296 -1.503 . . . . 0.0 112.797 175.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 28.3 m -58.08 -55.46 34.69 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 128.052 2.541 . . . . 0.0 113.114 166.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -78.42 -41.98 31.41 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.757 0.789 . . . . 0.0 111.771 -174.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -65.53 -45.14 84.6 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-O 122.079 0.942 . . . . 0.0 110.005 175.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.93 -40.22 92.89 Favored Glycine 0 C--O 1.211 -1.31 0 CA-C-O 122.934 1.297 . . . . 0.0 113.615 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -77.76 -15.82 58.85 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 119.431 -2.217 . . . . 0.0 114.035 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.65 -17.44 19.47 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 125.158 1.383 . . . . 0.0 114.231 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 73.7 t -116.0 -36.06 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.563 1.145 . . . . 0.0 112.04 -170.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.6 mt -101.18 -48.81 4.28 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 124.83 1.252 . . . . 0.0 110.776 -175.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 49.9 t80 . . . . . 0 C--O 1.257 1.495 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -176.702 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.535 3.782 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.27 144.64 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-O 123.046 1.403 . . . . 0.0 109.377 167.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -79.4 -53.94 6.42 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.426 1.09 . . . . 0.0 111.397 -166.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 33.9 m -87.9 -13.15 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.275 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -170.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -150.9 126.39 10.13 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 123.919 0.888 . . . . 0.0 110.207 -176.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -126.73 -49.24 1.5 Allowed 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 125.353 1.461 . . . . 0.0 109.607 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -56.35 123.09 13.46 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.181 1.792 . . . . 0.0 112.205 176.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 59.94 33.68 21.5 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.027 1.731 . . . . 0.0 111.966 -176.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.91 -90.94 0.36 Allowed 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 124.97 1.308 . . . . 0.0 112.344 -167.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -110.51 -49.47 3.05 Favored 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 124.965 1.306 . . . . 0.0 111.248 -171.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -16.96 26.24 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 123.045 1.402 . . . . 0.0 112.793 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 33.1 m -59.69 -55.31 35.91 Favored 'General case' 0 C--O 1.218 -0.563 0 C-N-CA 127.603 2.361 . . . . 0.0 113.184 168.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -77.27 -40.57 44.2 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.121 -0.987 . . . . 0.0 111.831 -174.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -68.34 -47.73 66.71 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-O 122.672 1.225 . . . . 0.0 110.292 176.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -59.37 -38.65 93.7 Favored Glycine 0 C--O 1.212 -1.224 0 CA-C-O 122.657 1.143 . . . . 0.0 113.827 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.14 -18.96 52.2 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 119.531 -2.158 . . . . 0.0 113.423 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -93.94 -18.76 21.58 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 124.983 1.313 . . . . 0.0 113.862 174.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 80.8 t -115.35 -35.59 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.591 1.157 . . . . 0.0 112.66 -170.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mt -103.27 -49.3 3.76 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.727 1.211 . . . . 0.0 111.197 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 30.8 t80 . . . . . 0 C--O 1.253 1.282 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -170.804 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.535 3.776 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 17.6 t -64.04 141.69 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 126.101 1.76 . . . . 0.0 110.864 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 27.52 0.09 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.947 2.203 . . . . 0.0 116.947 -174.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 3.3 p -178.41 -49.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 128.191 2.596 . . . . 0.0 111.045 -178.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -93.83 72.15 4.16 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 123.911 1.815 . . . . 0.0 111.292 -171.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.22 -64.54 1.04 Allowed 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.373 171.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -68.65 124.28 23.18 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.545 1.138 . . . . 0.0 113.495 -168.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 60.04 28.88 18.47 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.48 1.912 . . . . 0.0 111.796 -173.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.47 -86.21 0.43 Allowed 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 124.8 1.24 . . . . 0.0 112.363 -164.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -112.49 -48.84 2.99 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 124.453 1.101 . . . . 0.0 110.255 -169.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -15.66 31.59 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.496 -1.377 . . . . 0.0 113.648 176.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 28.9 m -63.09 -56.79 13.85 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 127.539 2.336 . . . . 0.0 112.234 168.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -77.0 -40.8 45.31 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 121.876 0.845 . . . . 0.0 111.796 -173.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -68.91 -46.12 69.12 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 122.203 1.001 . . . . 0.0 110.439 176.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.96 -39.89 92.48 Favored Glycine 0 C--O 1.208 -1.475 0 CA-C-O 122.863 1.257 . . . . 0.0 114.054 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.88 -17.22 53.69 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 119.919 -1.93 . . . . 0.0 113.669 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -94.83 -20.06 19.78 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 125.331 1.452 . . . . 0.0 113.724 173.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 82.8 t -114.74 -36.34 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.333 1.053 . . . . 0.0 112.34 -170.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -100.72 -49.27 4.22 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 124.522 1.129 . . . . 0.0 111.399 -175.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--O 1.253 1.269 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -172.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.537 3.883 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 88.9 t -152.11 148.95 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 128.132 2.573 . . . . 0.0 106.963 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.33 -29.84 10.98 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -174.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 65.8 t -71.81 -30.7 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.992 1.317 . . . . 0.0 111.455 177.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -151.42 158.6 43.91 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 126.0 1.72 . . . . 0.0 110.494 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . 0.403 ' HG2' ' H ' ' A' ' 538' ' ' LYS . 0.0 OUTLIER -161.88 -57.07 0.05 OUTLIER 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 126.298 1.839 . . . . 0.0 112.152 173.642 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . 0.403 ' H ' ' HG2' ' A' ' 537' ' ' ARG . 98.5 mttt -57.74 122.36 12.65 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.493 1.517 . . . . 0.0 112.636 176.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 64.43 18.28 11.26 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.053 2.141 . . . . 0.0 112.588 -175.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.06 -90.49 0.57 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.341 1.456 . . . . 0.0 112.716 -165.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -109.64 -52.9 2.72 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.395 1.478 . . . . 0.0 110.195 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -18.9 35.31 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.78 -1.2 . . . . 0.0 113.484 177.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.4 m -63.18 -55.35 25.83 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 127.676 2.39 . . . . 0.0 112.564 170.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -74.91 -40.82 60.65 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-O 121.631 0.729 . . . . 0.0 111.562 -174.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -67.58 -46.18 73.41 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 122.113 0.958 . . . . 0.0 110.374 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -54.98 -40.51 73.5 Favored Glycine 0 C--O 1.208 -1.494 0 CA-C-O 122.509 1.061 . . . . 0.0 113.868 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -80.95 -19.92 43.12 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 119.645 -2.091 . . . . 0.0 113.629 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -92.97 -19.69 21.35 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 125.21 1.404 . . . . 0.0 113.516 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 99.4 t -113.75 -37.31 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.916 1.287 . . . . 0.0 112.533 -172.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.1 mt -101.54 -48.81 4.21 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 122.177 0.989 . . . . 0.0 111.372 -173.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 23.9 t80 . . . . . 0 C--O 1.254 1.312 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -172.339 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 1 N--CA 1.541 4.09 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 51.6 t -58.1 145.28 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 125.828 1.651 . . . . 0.0 111.422 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -90.45 -43.66 10.13 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 125.272 1.429 . . . . 0.0 112.417 -168.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 87.0 t -75.45 -36.68 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 125.18 1.392 . . . . 0.0 112.233 -176.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -135.13 135.61 41.27 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 125.385 1.474 . . . . 0.0 110.04 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -131.79 -53.68 1.0 Allowed 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 124.746 1.218 . . . . 0.0 109.892 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -55.76 123.03 12.8 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 126.434 1.893 . . . . 0.0 112.137 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 60.2 mt 57.81 31.65 20.8 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.241 1.816 . . . . 0.0 112.735 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.31 -86.65 0.56 Allowed 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 124.666 1.187 . . . . 0.0 112.18 -167.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -116.99 -44.47 2.81 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 125.525 1.53 . . . . 0.0 111.673 -172.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -17.36 35.23 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 120.047 -1.658 . . . . 0.0 112.843 174.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 32.4 m -57.86 -57.89 10.81 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 128.098 2.559 . . . . 0.0 113.428 165.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.96 -41.04 52.64 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.261 -0.899 . . . . 0.0 112.049 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -67.59 -44.77 77.34 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 121.86 0.838 . . . . 0.0 110.462 176.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.95 -41.29 91.95 Favored Glycine 0 C--O 1.211 -1.325 0 CA-C-O 123.031 1.35 . . . . 0.0 113.673 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -80.27 -15.99 55.71 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 119.737 -2.037 . . . . 0.0 113.092 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.16 -20.12 19.51 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 125.146 1.378 . . . . 0.0 114.303 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 76.1 t -113.79 -36.88 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.268 1.027 . . . . 0.0 112.126 -170.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.36 -48.24 4.65 Favored 'General case' 0 C--O 1.213 -0.835 0 C-N-CA 124.548 1.139 . . . . 0.0 110.866 -174.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 44.4 t80 . . . . . 0 C--O 1.254 1.34 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -174.586 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.539 3.995 0 CA-C-O 121.064 0.459 . . . . 0.0 112.087 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 54.2 t -54.42 147.29 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-O 123.04 1.4 . . . . 0.0 111.302 174.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -90.47 -47.81 7.49 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 124.853 1.261 . . . . 0.0 111.943 -170.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.05 -18.04 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -177.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -154.53 149.91 27.22 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 125.758 1.623 . . . . 0.0 110.689 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . 0.418 ' HG2' ' H ' ' A' ' 538' ' ' LYS . 0.0 OUTLIER -157.17 -56.66 0.08 Allowed 'General case' 0 C--O 1.214 -0.799 0 C-N-CA 125.473 1.509 . . . . 0.0 112.399 173.822 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . 0.418 ' H ' ' HG2' ' A' ' 537' ' ' ARG . 23.0 pttp -58.14 120.88 9.41 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.442 1.897 . . . . 0.0 112.549 179.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 11.3 tp 57.71 29.22 17.01 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.053 1.741 . . . . 0.0 112.879 -175.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.48 -79.34 0.52 Allowed 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 125.445 1.498 . . . . 0.0 112.758 -165.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -118.03 -52.38 2.42 Favored 'General case' 0 C--O 1.213 -0.822 0 C-N-CA 124.442 1.097 . . . . 0.0 110.779 -167.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -17.05 41.31 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 122.802 1.286 . . . . 0.0 113.142 176.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.8 m -59.15 -57.62 12.24 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 127.608 2.363 . . . . 0.0 113.191 166.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -77.19 -41.17 42.55 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.247 -0.908 . . . . 0.0 111.787 -173.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -66.4 -45.2 80.76 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 122.003 0.906 . . . . 0.0 109.869 175.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.03 -40.74 91.8 Favored Glycine 0 C--O 1.21 -1.361 0 CA-C-O 122.984 1.324 . . . . 0.0 113.231 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.25 -18.02 53.61 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 119.483 -2.187 . . . . 0.0 113.884 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.25 -18.89 20.47 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.134 1.374 . . . . 0.0 113.961 175.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.06 -36.65 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.761 1.224 . . . . 0.0 112.457 -172.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mt -101.45 -48.03 4.48 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 124.215 1.006 . . . . 0.0 111.439 -174.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 41.4 t80 . . . . . 0 C--O 1.251 1.184 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -173.462 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 3.9 pp . . . . . 0 N--CA 1.537 3.89 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 64.6 t -57.28 134.02 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.623 1.569 . . . . 0.0 111.894 -173.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.84 -37.11 19.54 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.709 -1.132 . . . . 0.0 113.919 -171.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 34.6 m -77.32 -17.57 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.609 1.164 . . . . 0.0 113.916 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -157.61 112.1 2.65 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 124.553 1.141 . . . . 0.0 110.86 -173.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.64 -54.79 2.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.802 1.641 . . . . 0.0 111.176 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -65.94 122.46 17.41 Favored 'General case' 0 C--O 1.218 -0.595 0 C-N-CA 126.034 1.733 . . . . 0.0 112.815 -175.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 8.2 tp 65.03 20.09 12.0 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.544 1.938 . . . . 0.0 112.428 -174.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.79 -66.92 0.91 Allowed 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 125.296 1.438 . . . . 0.0 113.271 -168.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -129.99 -55.04 1.13 Allowed 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 123.668 0.787 . . . . 0.0 112.015 -164.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -18.48 26.36 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 123.499 1.619 . . . . 0.0 113.229 174.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 39.4 m -61.99 -57.69 10.72 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 128.445 2.698 . . . . 0.0 113.11 169.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.33 -40.99 61.84 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.187 -0.946 . . . . 0.0 111.557 -173.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.07 -48.67 51.23 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 122.428 1.109 . . . . 0.0 110.067 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -55.93 -40.3 81.23 Favored Glycine 0 C--O 1.212 -1.241 0 CA-C-O 122.739 1.188 . . . . 0.0 114.166 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -80.72 -17.84 49.74 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 119.82 -1.988 . . . . 0.0 113.587 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -94.91 -20.68 19.2 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 124.707 1.203 . . . . 0.0 113.033 175.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 95.7 t -112.69 -36.61 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.423 1.089 . . . . 0.0 112.155 -171.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.0 mt -101.4 -48.05 4.48 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.257 1.023 . . . . 0.0 111.08 -174.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 36.9 t80 . . . . . 0 C--O 1.256 1.404 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -172.568 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -116.04 -48.4 2.74 Favored 'General case' 0 C--O 1.214 -0.793 0 C-N-CA 125.586 1.555 . . . . 0.0 111.109 -173.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -18.45 30.96 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.481 -1.387 . . . . 0.0 113.183 175.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.3 m -60.97 -54.83 40.16 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 127.746 2.418 . . . . 0.0 112.963 169.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -76.83 -41.38 44.47 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.332 -0.855 . . . . 0.0 111.929 -175.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -68.51 -45.52 72.06 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 122.318 1.056 . . . . 0.0 110.33 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -58.58 -39.92 93.9 Favored Glycine 0 C--O 1.208 -1.478 0 O-C-N 120.545 -1.347 . . . . 0.0 113.793 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.14 -16.87 56.01 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 120.056 -1.849 . . . . 0.0 113.569 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.25 -19.98 19.57 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 125.351 1.46 . . . . 0.0 113.932 173.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 83.1 t -114.54 -36.18 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.556 1.142 . . . . 0.0 112.519 -170.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.5 mt -100.89 -48.45 4.46 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 124.624 1.17 . . . . 0.0 111.174 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 41.5 t80 . . . . . 0 C--O 1.255 1.386 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -174.217 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -130.53 -55.98 1.08 Allowed 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 123.801 0.84 . . . . 0.0 112.207 -169.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -18.09 37.68 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.303 -1.498 . . . . 0.0 113.052 175.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 44.1 m -60.79 -58.1 9.86 Favored 'General case' 0 C--O 1.214 -0.778 0 C-N-CA 129.135 2.974 . . . . 0.0 112.897 169.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.43 -39.17 62.77 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.289 -0.882 . . . . 0.0 111.653 -173.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -73.88 -46.98 41.33 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.765 0.793 . . . . 0.0 110.207 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.99 -38.97 91.16 Favored Glycine 0 C--O 1.212 -1.273 0 O-C-N 120.661 -1.274 . . . . 0.0 113.515 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.67 -14.64 59.2 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 119.421 -2.223 . . . . 0.0 113.688 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -98.62 -18.72 17.95 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 125.339 1.456 . . . . 0.0 113.782 173.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 71.6 t -113.98 -36.5 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.74 1.216 . . . . 0.0 111.948 -170.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.05 -47.83 4.43 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 125.041 1.336 . . . . 0.0 110.852 -175.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 C--O 1.254 1.308 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -174.832 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.215 -0.73 0 CA-C-O 121.206 0.527 . . . . 0.0 112.135 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -123.34 -51.93 1.85 Allowed 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 124.371 1.068 . . . . 0.0 110.811 -163.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -18.08 17.93 Favored 'General case' 0 C--O 1.209 -1.027 0 O-C-N 120.669 -1.269 . . . . 0.0 113.36 172.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 34.8 m -58.05 -60.02 4.38 Favored 'General case' 0 C--O 1.215 -0.759 0 C-N-CA 127.768 2.427 . . . . 0.0 112.957 166.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -74.37 -41.42 61.03 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.193 -0.942 . . . . 0.0 112.456 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -66.63 -44.46 81.93 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 121.069 -1.02 . . . . 0.0 110.122 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.56 -40.65 92.76 Favored Glycine 0 C--O 1.209 -1.409 0 O-C-N 120.702 -1.249 . . . . 0.0 113.583 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.69 -16.17 57.6 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 119.792 -2.004 . . . . 0.0 113.732 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.89 -19.09 19.82 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 125.683 1.593 . . . . 0.0 114.17 173.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 78.5 t -114.91 -36.55 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.342 1.057 . . . . 0.0 112.398 -170.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.5 mt -101.66 -48.26 4.36 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 124.695 1.198 . . . . 0.0 111.05 -174.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 45.2 t80 . . . . . 0 C--O 1.254 1.339 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -175.521 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.724 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -119.95 -53.99 2.15 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.201 1.0 . . . . 0.0 111.502 -166.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -19.16 47.28 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 120.156 -1.59 . . . . 0.0 112.998 175.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 43.0 m -60.68 -54.86 40.16 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 128.169 2.588 . . . . 0.0 113.527 169.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.63 -39.89 50.95 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 121.787 0.803 . . . . 0.0 111.313 -174.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -67.52 -45.37 75.98 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-O 121.794 0.807 . . . . 0.0 110.07 174.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -55.14 -39.89 72.29 Favored Glycine 0 C--O 1.21 -1.405 0 CA-C-O 122.902 1.279 . . . . 0.0 113.444 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.01 -15.77 57.79 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 119.368 -2.254 . . . . 0.0 113.861 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.92 -19.2 18.98 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 125.156 1.382 . . . . 0.0 113.867 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 71.8 t -114.19 -36.45 2.34 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.647 0 C-N-CA 124.928 1.291 . . . . 0.0 111.976 -170.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.8 mt -101.48 -47.55 4.63 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.811 1.244 . . . . 0.0 111.213 -175.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--O 1.253 1.266 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -176.582 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.217 -0.621 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -116.52 -46.17 2.78 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 124.795 1.238 . . . . 0.0 111.347 -170.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -18.03 22.41 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.434 -1.417 . . . . 0.0 113.577 172.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.0 m -57.4 -57.4 12.84 Favored 'General case' 0 C--O 1.214 -0.788 0 C-N-CA 127.852 2.461 . . . . 0.0 113.138 167.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -76.59 -40.47 49.47 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.281 -0.887 . . . . 0.0 111.783 -174.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -65.86 -46.79 77.15 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-O 122.363 1.078 . . . . 0.0 110.389 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.45 -40.38 92.1 Favored Glycine 0 C--O 1.208 -1.498 0 O-C-N 120.814 -1.179 . . . . 0.0 113.467 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.43 -17.33 54.52 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 119.792 -2.004 . . . . 0.0 113.834 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.31 -19.65 19.8 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 125.386 1.474 . . . . 0.0 113.769 174.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 80.5 t -113.79 -37.48 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.914 1.285 . . . . 0.0 111.935 -170.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mt -101.46 -48.35 4.38 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 124.987 1.315 . . . . 0.0 111.06 -174.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 38.4 t80 . . . . . 0 C--O 1.254 1.303 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -173.468 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -135.74 -50.12 0.71 Allowed 'General case' 0 C--O 1.212 -0.902 0 C-N-CA 123.693 0.797 . . . . 0.0 111.719 -172.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -15.15 31.89 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 120.446 -1.408 . . . . 0.0 113.832 174.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 53.8 m -55.87 -58.59 7.21 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 128.222 2.609 . . . . 0.0 113.603 163.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.01 -40.31 31.79 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.137 -0.977 . . . . 0.0 111.789 -173.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -65.72 -44.52 85.79 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-O 121.954 0.883 . . . . 0.0 110.165 174.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -58.39 -39.95 93.51 Favored Glycine 0 C--O 1.208 -1.53 0 CA-C-O 123.064 1.369 . . . . 0.0 113.557 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -77.79 -15.24 59.24 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 119.533 -2.157 . . . . 0.0 113.961 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.16 -19.39 18.67 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 125.283 1.433 . . . . 0.0 114.204 172.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 75.6 t -114.89 -36.2 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.473 1.109 . . . . 0.0 111.759 -169.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mt -101.22 -48.74 4.29 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 125.268 1.427 . . . . 0.0 110.482 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 48.8 t80 . . . . . 0 C--O 1.254 1.32 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -176.572 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.643 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -114.79 -46.79 2.92 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 125.017 1.327 . . . . 0.0 111.402 -170.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -17.54 25.61 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 120.71 -1.244 . . . . 0.0 113.052 174.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 37.0 m -59.82 -55.08 38.68 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 128.077 2.551 . . . . 0.0 113.626 168.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -78.7 -40.75 32.92 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.717 0.77 . . . . 0.0 111.348 -174.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -67.89 -46.58 71.22 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 122.131 0.967 . . . . 0.0 110.378 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.96 -39.72 92.23 Favored Glycine 0 C--O 1.21 -1.375 0 O-C-N 120.831 -1.168 . . . . 0.0 113.587 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.36 -16.67 55.9 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 119.825 -1.985 . . . . 0.0 113.52 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.06 -18.91 19.84 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.567 1.547 . . . . 0.0 113.92 173.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 75.6 t -114.88 -36.01 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.732 1.213 . . . . 0.0 112.098 -170.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.0 -48.85 4.11 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 124.895 1.278 . . . . 0.0 111.113 -174.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 43.4 t80 . . . . . 0 C--O 1.254 1.311 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -173.666 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -126.78 -53.46 1.43 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.97 0.908 . . . . 0.0 112.285 -165.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -16.75 40.48 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-O 122.724 1.249 . . . . 0.0 113.086 173.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 63.8 m -56.23 -61.93 2.06 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 128.31 2.644 . . . . 0.0 112.93 165.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.12 -41.29 64.15 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.351 -0.843 . . . . 0.0 111.989 -174.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -67.38 -44.4 79.01 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 122.403 1.097 . . . . 0.0 110.338 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.81 -41.11 90.67 Favored Glycine 0 C--O 1.208 -1.472 0 O-C-N 120.526 -1.359 . . . . 0.0 112.874 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.61 -17.17 56.46 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 119.271 -2.311 . . . . 0.0 113.96 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -94.93 -19.74 19.99 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 125.183 1.393 . . . . 0.0 114.01 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 82.3 t -113.72 -37.12 2.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 C-N-CA 124.64 1.176 . . . . 0.0 111.962 -170.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mt -100.59 -48.44 4.52 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 124.963 1.305 . . . . 0.0 111.295 -174.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 C--O 1.252 1.204 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -174.237 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 121.439 0.637 . . . . 0.0 112.643 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -122.1 -47.41 2.15 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 124.835 1.254 . . . . 0.0 111.465 -170.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -18.07 15.75 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.256 -1.528 . . . . 0.0 113.352 172.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 27.6 m -57.87 -58.71 7.21 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 128.079 2.551 . . . . 0.0 113.12 166.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -74.14 -40.69 62.45 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.328 -0.857 . . . . 0.0 111.567 -174.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -66.36 -46.31 77.17 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 122.078 0.942 . . . . 0.0 110.095 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.73 -40.71 89.33 Favored Glycine 0 C--O 1.213 -1.184 0 CA-C-O 123.042 1.357 . . . . 0.0 113.607 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.87 -14.74 58.43 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 119.979 -1.894 . . . . 0.0 113.84 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.1 -19.91 18.36 Favored 'General case' 0 C--O 1.215 -0.752 0 C-N-CA 125.61 1.564 . . . . 0.0 113.984 172.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 74.9 t -114.72 -35.44 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.606 1.162 . . . . 0.0 112.33 -170.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.31 -49.18 4.14 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 124.929 1.291 . . . . 0.0 111.024 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 42.1 t80 . . . . . 0 C--O 1.252 1.2 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.795 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.538 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -110.01 -45.18 3.65 Favored 'General case' 0 C--O 1.212 -0.914 0 C-N-CA 125.229 1.412 . . . . 0.0 111.488 -171.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -16.85 15.22 Favored 'General case' 0 C--O 1.209 -1.026 0 O-C-N 120.612 -1.305 . . . . 0.0 112.974 174.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 30.2 m -61.89 -57.29 12.33 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 128.036 2.535 . . . . 0.0 112.501 169.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -76.79 -40.38 48.33 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.358 -0.839 . . . . 0.0 111.839 -173.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -69.95 -47.32 62.81 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 122.331 1.063 . . . . 0.0 110.21 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -60.03 -38.59 94.49 Favored Glycine 0 C--O 1.208 -1.498 0 O-C-N 120.863 -1.148 . . . . 0.0 113.434 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.7 -15.6 58.27 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 119.995 -1.885 . . . . 0.0 113.712 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.71 -19.86 18.66 Favored 'General case' 0 C--O 1.214 -0.804 0 C-N-CA 125.231 1.412 . . . . 0.0 114.226 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 73.3 t -113.42 -36.2 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.711 1.204 . . . . 0.0 112.17 -170.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.93 -48.37 4.28 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 125.288 1.435 . . . . 0.0 111.424 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 39.4 t80 . . . . . 0 C--O 1.253 1.276 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -175.89 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.215 -0.749 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -131.11 -54.85 1.04 Allowed 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 123.799 0.84 . . . . 0.0 111.216 -163.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -15.19 35.39 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 120.398 -1.439 . . . . 0.0 113.229 173.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 58.7 m -58.92 -60.0 4.56 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 128.454 2.701 . . . . 0.0 113.054 165.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -73.83 -41.12 62.75 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.288 -0.883 . . . . 0.0 111.529 -173.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -69.58 -45.97 67.42 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-O 122.164 0.983 . . . . 0.0 109.994 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.51 -40.98 88.16 Favored Glycine 0 C--O 1.211 -1.289 0 CA-C-O 123.12 1.4 . . . . 0.0 113.476 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.05 -16.1 57.29 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 119.604 -2.115 . . . . 0.0 113.946 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.11 -20.36 18.7 Favored 'General case' 0 C--O 1.216 -0.665 0 C-N-CA 125.448 1.499 . . . . 0.0 114.149 172.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 79.5 t -112.8 -36.61 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.836 1.254 . . . . 0.0 111.97 -171.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mt -101.04 -48.56 4.39 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 124.754 1.222 . . . . 0.0 110.978 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 45.3 t80 . . . . . 0 C--O 1.254 1.297 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -175.3 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.216 -0.659 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -131.82 -52.0 0.98 Allowed 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 124.138 0.975 . . . . 0.0 112.536 -166.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -16.73 16.59 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 123.141 1.448 . . . . 0.0 113.184 172.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 30.7 m -61.93 -58.33 8.31 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 128.772 2.829 . . . . 0.0 112.55 169.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -74.1 -40.67 62.54 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 122.085 0.945 . . . . 0.0 111.591 -173.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -72.26 -49.1 37.55 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 122.341 1.067 . . . . 0.0 110.584 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.97 -34.42 89.89 Favored Glycine 0 C--O 1.208 -1.509 0 O-C-N 120.781 -1.199 . . . . 0.0 113.817 -174.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -77.35 -15.94 59.15 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 119.647 -2.09 . . . . 0.0 113.363 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.97 -15.51 20.07 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 125.681 1.592 . . . . 0.0 114.086 172.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 70.5 t -117.48 -34.92 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.564 1.145 . . . . 0.0 112.234 -170.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.11 -48.89 3.75 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 125.438 1.495 . . . . 0.0 111.05 -175.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 39.0 t80 . . . . . 0 C--O 1.254 1.336 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -172.19 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.218 -0.559 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -113.39 -44.87 3.18 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 125.263 1.425 . . . . 0.0 111.1 -171.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -17.72 34.49 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 119.956 -1.715 . . . . 0.0 112.649 174.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.0 m -54.54 -59.29 4.9 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 128.097 2.559 . . . . 0.0 113.094 164.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.14 -41.99 48.2 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 122.137 0.97 . . . . 0.0 111.444 -172.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -66.93 -46.71 73.93 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 121.269 -0.894 . . . . 0.0 110.025 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -59.17 -41.03 96.47 Favored Glycine 0 C--O 1.209 -1.412 0 O-C-N 120.778 -1.201 . . . . 0.0 113.728 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.69 -16.15 57.63 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 119.784 -2.01 . . . . 0.0 113.289 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.07 -18.63 20.04 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 124.644 1.178 . . . . 0.0 113.672 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 73.3 t -115.24 -35.88 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.322 1.049 . . . . 0.0 111.954 -170.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.58 -48.55 4.29 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 124.835 1.254 . . . . 0.0 110.946 -174.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 C--O 1.252 1.186 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -174.187 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.216 -0.679 0 CA-C-O 121.057 0.456 . . . . 0.0 112.103 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -112.94 -43.76 3.37 Favored 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 125.095 1.358 . . . . 0.0 111.482 -172.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -17.76 41.02 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 120.296 -1.503 . . . . 0.0 112.797 175.097 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 28.3 m -58.08 -55.46 34.69 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 128.052 2.541 . . . . 0.0 113.114 166.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -78.42 -41.98 31.41 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.757 0.789 . . . . 0.0 111.771 -174.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -65.53 -45.14 84.6 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-O 122.079 0.942 . . . . 0.0 110.005 175.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.93 -40.22 92.89 Favored Glycine 0 C--O 1.211 -1.31 0 CA-C-O 122.934 1.297 . . . . 0.0 113.615 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -77.76 -15.82 58.85 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 119.431 -2.217 . . . . 0.0 114.035 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.65 -17.44 19.47 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 125.158 1.383 . . . . 0.0 114.231 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 73.7 t -116.0 -36.06 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.563 1.145 . . . . 0.0 112.04 -170.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.6 mt -101.18 -48.81 4.28 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 124.83 1.252 . . . . 0.0 110.776 -175.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 49.9 t80 . . . . . 0 C--O 1.257 1.495 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -176.702 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.218 -0.604 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -110.51 -49.47 3.05 Favored 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 124.965 1.306 . . . . 0.0 111.248 -171.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -16.96 26.24 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 123.045 1.402 . . . . 0.0 112.793 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 33.1 m -59.69 -55.31 35.91 Favored 'General case' 0 C--O 1.218 -0.563 0 C-N-CA 127.603 2.361 . . . . 0.0 113.184 168.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -77.27 -40.57 44.2 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.121 -0.987 . . . . 0.0 111.831 -174.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -68.34 -47.73 66.71 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-O 122.672 1.225 . . . . 0.0 110.292 176.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -59.37 -38.65 93.7 Favored Glycine 0 C--O 1.212 -1.224 0 CA-C-O 122.657 1.143 . . . . 0.0 113.827 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.14 -18.96 52.2 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 119.531 -2.158 . . . . 0.0 113.423 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -93.94 -18.76 21.58 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 124.983 1.313 . . . . 0.0 113.862 174.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 80.8 t -115.35 -35.59 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.591 1.157 . . . . 0.0 112.66 -170.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mt -103.27 -49.3 3.76 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.727 1.211 . . . . 0.0 111.197 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 30.8 t80 . . . . . 0 C--O 1.253 1.282 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -170.804 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.216 -0.682 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -112.49 -48.84 2.99 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 124.453 1.101 . . . . 0.0 110.255 -169.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -15.66 31.59 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.496 -1.377 . . . . 0.0 113.648 176.254 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 28.9 m -63.09 -56.79 13.85 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 127.539 2.336 . . . . 0.0 112.234 168.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -77.0 -40.8 45.31 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 121.876 0.845 . . . . 0.0 111.796 -173.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -68.91 -46.12 69.12 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 122.203 1.001 . . . . 0.0 110.439 176.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.96 -39.89 92.48 Favored Glycine 0 C--O 1.208 -1.475 0 CA-C-O 122.863 1.257 . . . . 0.0 114.054 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.88 -17.22 53.69 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 119.919 -1.93 . . . . 0.0 113.669 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -94.83 -20.06 19.78 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 125.331 1.452 . . . . 0.0 113.724 173.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 82.8 t -114.74 -36.34 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.333 1.053 . . . . 0.0 112.34 -170.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -100.72 -49.27 4.22 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 124.522 1.129 . . . . 0.0 111.399 -175.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--O 1.253 1.269 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -172.977 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.711 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -109.64 -52.9 2.72 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.395 1.478 . . . . 0.0 110.195 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -18.9 35.31 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.78 -1.2 . . . . 0.0 113.484 177.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.4 m -63.18 -55.35 25.83 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 127.676 2.39 . . . . 0.0 112.564 170.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -74.91 -40.82 60.65 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-O 121.631 0.729 . . . . 0.0 111.562 -174.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -67.58 -46.18 73.41 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 122.113 0.958 . . . . 0.0 110.374 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -54.98 -40.51 73.5 Favored Glycine 0 C--O 1.208 -1.494 0 CA-C-O 122.509 1.061 . . . . 0.0 113.868 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -80.95 -19.92 43.12 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 119.645 -2.091 . . . . 0.0 113.629 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -92.97 -19.69 21.35 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 125.21 1.404 . . . . 0.0 113.516 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 99.4 t -113.75 -37.31 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.916 1.287 . . . . 0.0 112.533 -172.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.1 mt -101.54 -48.81 4.21 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 122.177 0.989 . . . . 0.0 111.372 -173.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 23.9 t80 . . . . . 0 C--O 1.254 1.312 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -172.339 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.591 0 CA-C-O 121.302 0.572 . . . . 0.0 112.18 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -116.99 -44.47 2.81 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 125.525 1.53 . . . . 0.0 111.673 -172.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -17.36 35.23 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 120.047 -1.658 . . . . 0.0 112.843 174.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 32.4 m -57.86 -57.89 10.81 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 128.098 2.559 . . . . 0.0 113.428 165.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.96 -41.04 52.64 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.261 -0.899 . . . . 0.0 112.049 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -67.59 -44.77 77.34 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 121.86 0.838 . . . . 0.0 110.462 176.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.95 -41.29 91.95 Favored Glycine 0 C--O 1.211 -1.325 0 CA-C-O 123.031 1.35 . . . . 0.0 113.673 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -80.27 -15.99 55.71 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 119.737 -2.037 . . . . 0.0 113.092 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.16 -20.12 19.51 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 125.146 1.378 . . . . 0.0 114.303 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 76.1 t -113.79 -36.88 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.268 1.027 . . . . 0.0 112.126 -170.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.36 -48.24 4.65 Favored 'General case' 0 C--O 1.213 -0.835 0 C-N-CA 124.548 1.139 . . . . 0.0 110.866 -174.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 44.4 t80 . . . . . 0 C--O 1.254 1.34 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -174.586 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.594 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -118.03 -52.38 2.42 Favored 'General case' 0 C--O 1.213 -0.822 0 C-N-CA 124.442 1.097 . . . . 0.0 110.779 -167.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -17.05 41.31 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 122.802 1.286 . . . . 0.0 113.142 176.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.8 m -59.15 -57.62 12.24 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 127.608 2.363 . . . . 0.0 113.191 166.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -77.19 -41.17 42.55 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.247 -0.908 . . . . 0.0 111.787 -173.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -66.4 -45.2 80.76 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 122.003 0.906 . . . . 0.0 109.869 175.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.03 -40.74 91.8 Favored Glycine 0 C--O 1.21 -1.361 0 CA-C-O 122.984 1.324 . . . . 0.0 113.231 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.25 -18.02 53.61 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 119.483 -2.187 . . . . 0.0 113.884 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.25 -18.89 20.47 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.134 1.374 . . . . 0.0 113.961 175.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.06 -36.65 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.761 1.224 . . . . 0.0 112.457 -172.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mt -101.45 -48.03 4.48 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 124.215 1.006 . . . . 0.0 111.439 -174.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 41.4 t80 . . . . . 0 C--O 1.251 1.184 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -173.462 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.217 -0.611 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -129.99 -55.04 1.13 Allowed 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 123.668 0.787 . . . . 0.0 112.015 -164.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -18.48 26.36 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 123.499 1.619 . . . . 0.0 113.229 174.063 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 39.4 m -61.99 -57.69 10.72 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 128.445 2.698 . . . . 0.0 113.11 169.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.33 -40.99 61.84 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.187 -0.946 . . . . 0.0 111.557 -173.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.07 -48.67 51.23 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 122.428 1.109 . . . . 0.0 110.067 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -55.93 -40.3 81.23 Favored Glycine 0 C--O 1.212 -1.241 0 CA-C-O 122.739 1.188 . . . . 0.0 114.166 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -80.72 -17.84 49.74 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 119.82 -1.988 . . . . 0.0 113.587 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -94.91 -20.68 19.2 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 124.707 1.203 . . . . 0.0 113.033 175.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 95.7 t -112.69 -36.61 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.423 1.089 . . . . 0.0 112.155 -171.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.0 mt -101.4 -48.05 4.48 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.257 1.023 . . . . 0.0 111.08 -174.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 36.9 t80 . . . . . 0 C--O 1.256 1.404 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -172.568 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.426 HD13 ' H ' ' A' ' 533' ' ' VAL . 0.2 OUTLIER . . . . . 1 N--CA 1.54 4.071 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.426 ' H ' HD13 ' A' ' 532' ' ' LEU . 49.4 t -60.82 145.77 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-O 122.747 1.26 . . . . 0.0 110.25 172.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -89.0 -50.23 6.3 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.509 1.124 . . . . 0.0 111.82 -169.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.47 -32.25 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 124.962 1.305 . . . . 0.0 112.332 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -140.38 138.5 34.85 Favored 'General case' 0 C--O 1.216 -0.675 0 C-N-CA 125.138 1.375 . . . . 0.0 110.052 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.34 -55.9 0.85 Allowed 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 125.178 1.391 . . . . 0.0 109.767 175.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -57.56 127.61 32.89 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 125.57 1.548 . . . . 0.0 113.072 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 51.2 mt 62.05 20.01 11.26 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.344 1.858 . . . . 0.0 113.272 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.02 -87.91 0.63 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.067 1.347 . . . . 0.0 112.742 -162.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -116.04 -48.4 2.74 Favored 'General case' 0 C--O 1.214 -0.793 0 C-N-CA 125.586 1.555 . . . . 0.0 111.109 -173.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -18.45 30.96 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.481 -1.387 . . . . 0.0 113.183 175.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.3 m -60.97 -54.83 40.16 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 127.746 2.418 . . . . 0.0 112.963 169.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -76.83 -41.38 44.47 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.332 -0.855 . . . . 0.0 111.929 -175.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -68.51 -45.52 72.06 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 122.318 1.056 . . . . 0.0 110.33 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -58.58 -39.92 93.9 Favored Glycine 0 C--O 1.208 -1.478 0 O-C-N 120.545 -1.347 . . . . 0.0 113.793 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.14 -16.87 56.01 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 120.056 -1.849 . . . . 0.0 113.569 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.25 -19.98 19.57 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 125.351 1.46 . . . . 0.0 113.932 173.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 83.1 t -114.54 -36.18 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.556 1.142 . . . . 0.0 112.519 -170.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.5 mt -100.89 -48.45 4.46 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 124.624 1.17 . . . . 0.0 111.174 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 41.5 t80 . . . . . 0 C--O 1.255 1.386 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -174.217 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.536 3.827 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.66 145.93 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-O 122.743 1.258 . . . . 0.0 109.665 172.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -86.9 -55.35 3.88 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 125.367 1.467 . . . . 0.0 111.537 -171.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.87 -18.01 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -173.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -151.81 141.43 21.76 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 125.06 1.344 . . . . 0.0 109.989 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.8 -51.5 0.46 Allowed 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.51 1.524 . . . . 0.0 110.473 178.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -72.14 130.46 40.92 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 125.145 1.378 . . . . 0.0 113.278 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 47.1 mt 63.14 24.54 14.47 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.502 1.921 . . . . 0.0 112.035 -172.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.81 -68.46 0.48 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.752 1.221 . . . . 0.0 113.557 -161.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -130.53 -55.98 1.08 Allowed 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 123.801 0.84 . . . . 0.0 112.207 -169.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -18.09 37.68 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.303 -1.498 . . . . 0.0 113.052 175.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 44.1 m -60.79 -58.1 9.86 Favored 'General case' 0 C--O 1.214 -0.778 0 C-N-CA 129.135 2.974 . . . . 0.0 112.897 169.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.43 -39.17 62.77 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.289 -0.882 . . . . 0.0 111.653 -173.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -73.88 -46.98 41.33 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.765 0.793 . . . . 0.0 110.207 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.99 -38.97 91.16 Favored Glycine 0 C--O 1.212 -1.273 0 O-C-N 120.661 -1.274 . . . . 0.0 113.515 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.67 -14.64 59.2 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 119.421 -2.223 . . . . 0.0 113.688 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -98.62 -18.72 17.95 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 125.339 1.456 . . . . 0.0 113.782 173.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 71.6 t -113.98 -36.5 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.74 1.216 . . . . 0.0 111.948 -170.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.05 -47.83 4.43 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 125.041 1.336 . . . . 0.0 110.852 -175.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 C--O 1.254 1.308 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -174.832 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 N--CA 1.534 3.764 0 CA-C-O 120.548 0.214 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.95 146.37 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-O 122.89 1.329 . . . . 0.0 111.206 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.41 -47.95 6.9 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.634 1.574 . . . . 0.0 112.46 -173.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.06 -36.19 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.392 1.477 . . . . 0.0 112.319 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -137.8 134.08 34.78 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 125.185 1.394 . . . . 0.0 110.262 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.52 -51.42 1.0 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.423 1.489 . . . . 0.0 110.431 175.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -57.59 125.68 23.98 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 125.54 1.536 . . . . 0.0 112.622 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 7.2 mp 58.74 27.44 15.95 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.934 1.694 . . . . 0.0 112.358 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.12 -78.81 0.54 Allowed 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 125.639 1.576 . . . . 0.0 112.135 -167.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -123.34 -51.93 1.85 Allowed 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 124.371 1.068 . . . . 0.0 110.811 -163.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -18.08 17.93 Favored 'General case' 0 C--O 1.209 -1.027 0 O-C-N 120.669 -1.269 . . . . 0.0 113.36 172.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 34.8 m -58.05 -60.02 4.38 Favored 'General case' 0 C--O 1.215 -0.759 0 C-N-CA 127.768 2.427 . . . . 0.0 112.957 166.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -74.37 -41.42 61.03 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.193 -0.942 . . . . 0.0 112.456 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -66.63 -44.46 81.93 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 121.069 -1.02 . . . . 0.0 110.122 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.56 -40.65 92.76 Favored Glycine 0 C--O 1.209 -1.409 0 O-C-N 120.702 -1.249 . . . . 0.0 113.583 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.69 -16.17 57.6 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 119.792 -2.004 . . . . 0.0 113.732 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.89 -19.09 19.82 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 125.683 1.593 . . . . 0.0 114.17 173.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 78.5 t -114.91 -36.55 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.342 1.057 . . . . 0.0 112.398 -170.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.5 mt -101.66 -48.26 4.36 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 124.695 1.198 . . . . 0.0 111.05 -174.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 45.2 t80 . . . . . 0 C--O 1.254 1.339 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -175.521 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 1 N--CA 1.543 4.19 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 61.1 t -65.27 144.72 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-O 122.899 1.333 . . . . 0.0 109.186 172.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -87.81 -52.38 5.33 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.72 1.208 . . . . 0.0 111.356 -169.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 86.5 t -66.99 -34.25 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 125.85 1.66 . . . . 0.0 111.979 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -142.09 137.49 31.02 Favored 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 124.788 1.235 . . . . 0.0 110.466 -175.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.77 -52.3 0.74 Allowed 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 125.712 1.605 . . . . 0.0 110.715 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -73.29 132.3 42.95 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.516 1.526 . . . . 0.0 113.295 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 53.6 mt 59.39 27.8 17.0 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.921 1.688 . . . . 0.0 112.106 -171.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.71 -80.35 0.36 Allowed 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 125.593 1.557 . . . . 0.0 112.487 -164.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -119.95 -53.99 2.15 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.201 1.0 . . . . 0.0 111.502 -166.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -19.16 47.28 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 120.156 -1.59 . . . . 0.0 112.998 175.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 43.0 m -60.68 -54.86 40.16 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 128.169 2.588 . . . . 0.0 113.527 169.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.63 -39.89 50.95 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 121.787 0.803 . . . . 0.0 111.313 -174.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -67.52 -45.37 75.98 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-O 121.794 0.807 . . . . 0.0 110.07 174.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -55.14 -39.89 72.29 Favored Glycine 0 C--O 1.21 -1.405 0 CA-C-O 122.902 1.279 . . . . 0.0 113.444 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.01 -15.77 57.79 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 119.368 -2.254 . . . . 0.0 113.861 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.92 -19.2 18.98 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 125.156 1.382 . . . . 0.0 113.867 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 71.8 t -114.19 -36.45 2.34 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.647 0 C-N-CA 124.928 1.291 . . . . 0.0 111.976 -170.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.8 mt -101.48 -47.55 4.63 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.811 1.244 . . . . 0.0 111.213 -175.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--O 1.253 1.266 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -176.582 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . 0.279 0.0 OUTLIER . . . . . 0 N--CA 1.529 3.518 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 48.9 t -48.17 146.46 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 127.108 2.163 . . . . 0.0 113.348 -176.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.06 -45.72 8.54 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.656 1.582 . . . . 0.0 113.168 -172.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 26.9 m -75.15 -16.64 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.154 1.382 . . . . 0.0 113.881 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -155.69 145.3 21.14 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 125.549 1.54 . . . . 0.0 110.293 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -139.06 -53.9 0.58 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.218 1.407 . . . . 0.0 110.874 174.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -69.59 127.75 34.08 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.345 1.058 . . . . 0.0 113.03 -173.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 11.9 tp 58.67 32.51 22.26 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.518 1.927 . . . . 0.0 111.653 -171.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.62 -88.54 0.4 Allowed 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 124.589 1.156 . . . . 0.0 112.598 -166.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -116.52 -46.17 2.78 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 124.795 1.238 . . . . 0.0 111.347 -170.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -18.03 22.41 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.434 -1.417 . . . . 0.0 113.577 172.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.0 m -57.4 -57.4 12.84 Favored 'General case' 0 C--O 1.214 -0.788 0 C-N-CA 127.852 2.461 . . . . 0.0 113.138 167.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -76.59 -40.47 49.47 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.281 -0.887 . . . . 0.0 111.783 -174.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -65.86 -46.79 77.15 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-O 122.363 1.078 . . . . 0.0 110.389 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.45 -40.38 92.1 Favored Glycine 0 C--O 1.208 -1.498 0 O-C-N 120.814 -1.179 . . . . 0.0 113.467 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.43 -17.33 54.52 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 119.792 -2.004 . . . . 0.0 113.834 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.31 -19.65 19.8 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 125.386 1.474 . . . . 0.0 113.769 174.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 80.5 t -113.79 -37.48 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.914 1.285 . . . . 0.0 111.935 -170.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mt -101.46 -48.35 4.38 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 124.987 1.315 . . . . 0.0 111.06 -174.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 38.4 t80 . . . . . 0 C--O 1.254 1.303 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -173.468 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.497 HD13 ' H ' ' A' ' 533' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.537 3.89 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.497 ' H ' HD13 ' A' ' 532' ' ' LEU . 98.8 t -62.04 143.65 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-O 123.08 1.419 . . . . 0.0 110.196 173.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -45.31 63.22 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -165.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.36 -6.27 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -171.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -153.52 113.7 3.95 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 120.988 -1.07 . . . . 0.0 110.088 -173.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -126.76 -54.44 1.42 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.916 1.286 . . . . 0.0 110.587 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -64.54 119.81 11.15 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 126.275 1.83 . . . . 0.0 112.527 -173.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 11.5 tp 59.41 31.86 21.38 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.248 1.819 . . . . 0.0 112.038 -176.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.8 -60.51 0.59 Allowed 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -163.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -135.74 -50.12 0.71 Allowed 'General case' 0 C--O 1.212 -0.902 0 C-N-CA 123.693 0.797 . . . . 0.0 111.719 -172.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -15.15 31.89 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 120.446 -1.408 . . . . 0.0 113.832 174.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 53.8 m -55.87 -58.59 7.21 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 128.222 2.609 . . . . 0.0 113.603 163.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.01 -40.31 31.79 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.137 -0.977 . . . . 0.0 111.789 -173.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -65.72 -44.52 85.79 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-O 121.954 0.883 . . . . 0.0 110.165 174.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -58.39 -39.95 93.51 Favored Glycine 0 C--O 1.208 -1.53 0 CA-C-O 123.064 1.369 . . . . 0.0 113.557 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -77.79 -15.24 59.24 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 119.533 -2.157 . . . . 0.0 113.961 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.16 -19.39 18.67 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 125.283 1.433 . . . . 0.0 114.204 172.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 75.6 t -114.89 -36.2 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.473 1.109 . . . . 0.0 111.759 -169.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mt -101.22 -48.74 4.29 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 125.268 1.427 . . . . 0.0 110.482 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 48.8 t80 . . . . . 0 C--O 1.254 1.32 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -176.572 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.499 HD13 ' H ' ' A' ' 533' ' ' VAL . 0.2 OUTLIER . . . . . 1 N--CA 1.539 4.016 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.499 ' H ' HD13 ' A' ' 532' ' ' LEU . 88.7 t -62.59 145.57 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-O 123.078 1.418 . . . . 0.0 109.993 174.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -73.2 -55.98 5.71 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 124.831 1.252 . . . . 0.0 111.978 -167.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 34.7 m -90.66 -11.13 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -170.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -149.7 129.95 13.7 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 124.491 1.116 . . . . 0.0 109.798 -175.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -133.84 -54.9 0.88 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.134 1.373 . . . . 0.0 110.408 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.29 125.25 22.98 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 125.302 1.441 . . . . 0.0 112.715 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 72.6 mt 57.62 34.03 24.0 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.215 1.806 . . . . 0.0 112.197 -174.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.7 -91.03 0.42 Allowed 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 125.553 1.541 . . . . 0.0 112.524 -169.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -114.79 -46.79 2.92 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 125.017 1.327 . . . . 0.0 111.402 -170.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -17.54 25.61 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 120.71 -1.244 . . . . 0.0 113.052 174.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 37.0 m -59.82 -55.08 38.68 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 128.077 2.551 . . . . 0.0 113.626 168.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -78.7 -40.75 32.92 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.717 0.77 . . . . 0.0 111.348 -174.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -67.89 -46.58 71.22 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 122.131 0.967 . . . . 0.0 110.378 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.96 -39.72 92.23 Favored Glycine 0 C--O 1.21 -1.375 0 O-C-N 120.831 -1.168 . . . . 0.0 113.587 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.36 -16.67 55.9 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 119.825 -1.985 . . . . 0.0 113.52 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.06 -18.91 19.84 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.567 1.547 . . . . 0.0 113.92 173.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 75.6 t -114.88 -36.01 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.732 1.213 . . . . 0.0 112.098 -170.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.0 -48.85 4.11 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 124.895 1.278 . . . . 0.0 111.113 -174.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 43.4 t80 . . . . . 0 C--O 1.254 1.311 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -173.666 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.537 3.91 0 N-CA-C 111.517 0.191 . . . . 0.0 111.517 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 49.8 t -60.64 143.33 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-O 123.04 1.4 . . . . 0.0 111.902 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -88.57 -49.61 6.79 Favored 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 125.444 1.498 . . . . 0.0 111.668 -170.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 28.0 m -70.06 -19.68 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -154.65 118.82 4.72 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 124.461 1.104 . . . . 0.0 111.013 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.53 -51.85 2.67 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 124.965 1.306 . . . . 0.0 111.064 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -82.26 133.26 35.24 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 125.759 1.624 . . . . 0.0 114.041 -170.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 13.0 tp 56.47 37.95 29.25 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.68 1.592 . . . . 0.0 110.875 -170.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.77 -75.27 0.17 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.054 1.342 . . . . 0.0 112.667 -164.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -126.78 -53.46 1.43 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.97 0.908 . . . . 0.0 112.285 -165.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -16.75 40.48 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-O 122.724 1.249 . . . . 0.0 113.086 173.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 63.8 m -56.23 -61.93 2.06 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 128.31 2.644 . . . . 0.0 112.93 165.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.12 -41.29 64.15 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.351 -0.843 . . . . 0.0 111.989 -174.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -67.38 -44.4 79.01 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 122.403 1.097 . . . . 0.0 110.338 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.81 -41.11 90.67 Favored Glycine 0 C--O 1.208 -1.472 0 O-C-N 120.526 -1.359 . . . . 0.0 112.874 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.61 -17.17 56.46 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 119.271 -2.311 . . . . 0.0 113.96 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -94.93 -19.74 19.99 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 125.183 1.393 . . . . 0.0 114.01 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 82.3 t -113.72 -37.12 2.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 C-N-CA 124.64 1.176 . . . . 0.0 111.962 -170.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mt -100.59 -48.44 4.52 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 124.963 1.305 . . . . 0.0 111.295 -174.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 C--O 1.252 1.204 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -174.237 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.418 HD23 ' H ' ' A' ' 533' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.538 3.943 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.418 ' H ' HD23 ' A' ' 532' ' ' LEU . 73.8 t -136.98 149.99 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 126.698 1.999 . . . . 0.0 108.806 -175.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -78.49 -55.42 5.23 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.697 1.199 . . . . 0.0 111.878 -172.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 34.6 m -79.89 -14.64 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -170.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -151.23 142.78 23.57 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 125.182 1.393 . . . . 0.0 109.84 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -139.02 -50.92 0.53 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.149 1.38 . . . . 0.0 109.789 176.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -55.15 123.54 14.02 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.041 1.737 . . . . 0.0 112.578 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 53.8 mt 58.79 27.01 15.46 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.919 1.688 . . . . 0.0 112.961 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.22 -82.0 0.62 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.558 1.543 . . . . 0.0 112.643 -165.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -122.1 -47.41 2.15 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 124.835 1.254 . . . . 0.0 111.465 -170.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -18.07 15.75 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.256 -1.528 . . . . 0.0 113.352 172.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 27.6 m -57.87 -58.71 7.21 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 128.079 2.551 . . . . 0.0 113.12 166.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -74.14 -40.69 62.45 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.328 -0.857 . . . . 0.0 111.567 -174.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -66.36 -46.31 77.17 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 122.078 0.942 . . . . 0.0 110.095 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.73 -40.71 89.33 Favored Glycine 0 C--O 1.213 -1.184 0 CA-C-O 123.042 1.357 . . . . 0.0 113.607 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.87 -14.74 58.43 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 119.979 -1.894 . . . . 0.0 113.84 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.1 -19.91 18.36 Favored 'General case' 0 C--O 1.215 -0.752 0 C-N-CA 125.61 1.564 . . . . 0.0 113.984 172.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 74.9 t -114.72 -35.44 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.606 1.162 . . . . 0.0 112.33 -170.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.31 -49.18 4.14 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 124.929 1.291 . . . . 0.0 111.024 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 42.1 t80 . . . . . 0 C--O 1.252 1.2 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.795 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.46 HD13 ' H ' ' A' ' 533' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.539 3.987 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.46 ' H ' HD13 ' A' ' 532' ' ' LEU . 46.7 t -60.33 143.99 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-O 122.545 1.164 . . . . 0.0 110.162 168.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -85.86 -47.75 9.39 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.153 0.981 . . . . 0.0 112.293 -167.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 34.9 m -82.91 -14.78 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -173.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -156.3 116.31 3.62 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 120.918 -1.114 . . . . 0.0 110.329 -175.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -120.66 -50.13 2.21 Favored 'General case' 0 C--O 1.214 -0.769 0 C-N-CA 125.264 1.425 . . . . 0.0 110.855 176.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -58.74 122.62 13.97 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.736 1.615 . . . . 0.0 112.016 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 9.5 mp 54.93 39.37 31.52 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.027 1.731 . . . . 0.0 111.494 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.05 -94.82 0.33 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.945 1.298 . . . . 0.0 112.349 -172.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -110.01 -45.18 3.65 Favored 'General case' 0 C--O 1.212 -0.914 0 C-N-CA 125.229 1.412 . . . . 0.0 111.488 -171.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -16.85 15.22 Favored 'General case' 0 C--O 1.209 -1.026 0 O-C-N 120.612 -1.305 . . . . 0.0 112.974 174.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 30.2 m -61.89 -57.29 12.33 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 128.036 2.535 . . . . 0.0 112.501 169.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -76.79 -40.38 48.33 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.358 -0.839 . . . . 0.0 111.839 -173.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -69.95 -47.32 62.81 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 122.331 1.063 . . . . 0.0 110.21 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -60.03 -38.59 94.49 Favored Glycine 0 C--O 1.208 -1.498 0 O-C-N 120.863 -1.148 . . . . 0.0 113.434 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.7 -15.6 58.27 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 119.995 -1.885 . . . . 0.0 113.712 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.71 -19.86 18.66 Favored 'General case' 0 C--O 1.214 -0.804 0 C-N-CA 125.231 1.412 . . . . 0.0 114.226 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 73.3 t -113.42 -36.2 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.711 1.204 . . . . 0.0 112.17 -170.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.93 -48.37 4.28 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 125.288 1.435 . . . . 0.0 111.424 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 39.4 t80 . . . . . 0 C--O 1.253 1.276 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -175.89 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 N--CA 1.533 3.72 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 88.7 t -144.96 146.47 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 127.787 2.435 . . . . 0.0 107.865 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -71.87 -59.83 2.55 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 124.213 1.005 . . . . 0.0 112.733 -166.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 33.1 m -91.9 -5.39 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.457 1.503 . . . . 0.0 114.648 -170.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -144.72 138.19 27.05 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 125.678 1.591 . . . . 0.0 110.196 -173.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.06 -65.35 0.21 Allowed 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 125.06 1.344 . . . . 0.0 111.983 173.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -77.24 128.73 34.87 Favored 'General case' 0 C--O 1.215 -0.743 0 C-N-CA 125.256 1.422 . . . . 0.0 114.059 -173.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 56.7 mt 57.58 31.34 20.19 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.001 1.721 . . . . 0.0 111.709 -170.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -140.77 -69.31 0.39 Allowed 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 124.548 1.139 . . . . 0.0 113.678 -163.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -131.11 -54.85 1.04 Allowed 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 123.799 0.84 . . . . 0.0 111.216 -163.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -15.19 35.39 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 120.398 -1.439 . . . . 0.0 113.229 173.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 58.7 m -58.92 -60.0 4.56 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 128.454 2.701 . . . . 0.0 113.054 165.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -73.83 -41.12 62.75 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.288 -0.883 . . . . 0.0 111.529 -173.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -69.58 -45.97 67.42 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-O 122.164 0.983 . . . . 0.0 109.994 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.51 -40.98 88.16 Favored Glycine 0 C--O 1.211 -1.289 0 CA-C-O 123.12 1.4 . . . . 0.0 113.476 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.05 -16.1 57.29 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 119.604 -2.115 . . . . 0.0 113.946 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.11 -20.36 18.7 Favored 'General case' 0 C--O 1.216 -0.665 0 C-N-CA 125.448 1.499 . . . . 0.0 114.149 172.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 79.5 t -112.8 -36.61 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.836 1.254 . . . . 0.0 111.97 -171.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mt -101.04 -48.56 4.39 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 124.754 1.222 . . . . 0.0 110.978 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 45.3 t80 . . . . . 0 C--O 1.254 1.297 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -175.3 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 1 N--CA 1.539 4.022 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.46 142.88 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 C-N-CA 125.477 1.511 . . . . 0.0 112.565 -171.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -87.4 -49.94 6.89 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.785 1.234 . . . . 0.0 112.113 -171.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 29.2 m -71.98 -19.13 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -175.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -153.85 118.79 5.03 Favored 'General case' 0 C--O 1.216 -0.697 0 C-N-CA 124.607 1.163 . . . . 0.0 110.925 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -119.3 -52.58 2.27 Favored 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 125.676 1.59 . . . . 0.0 110.372 177.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -59.4 124.91 21.58 Favored 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 125.377 1.471 . . . . 0.0 112.889 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 51.4 mt 62.54 20.82 12.23 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.88 2.072 . . . . 0.0 113.288 -177.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.89 -69.31 0.78 Allowed 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 125.465 1.506 . . . . 0.0 113.096 -167.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -131.82 -52.0 0.98 Allowed 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 124.138 0.975 . . . . 0.0 112.536 -166.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -16.73 16.59 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 123.141 1.448 . . . . 0.0 113.184 172.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 30.7 m -61.93 -58.33 8.31 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 128.772 2.829 . . . . 0.0 112.55 169.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -74.1 -40.67 62.54 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 122.085 0.945 . . . . 0.0 111.591 -173.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -72.26 -49.1 37.55 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 122.341 1.067 . . . . 0.0 110.584 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.97 -34.42 89.89 Favored Glycine 0 C--O 1.208 -1.509 0 O-C-N 120.781 -1.199 . . . . 0.0 113.817 -174.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -77.35 -15.94 59.15 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 119.647 -2.09 . . . . 0.0 113.363 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.97 -15.51 20.07 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 125.681 1.592 . . . . 0.0 114.086 172.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 70.5 t -117.48 -34.92 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.564 1.145 . . . . 0.0 112.234 -170.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.11 -48.89 3.75 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 125.438 1.495 . . . . 0.0 111.05 -175.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 39.0 t80 . . . . . 0 C--O 1.254 1.336 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -172.19 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.537 3.898 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.79 144.26 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-O 122.978 1.371 . . . . 0.0 111.529 -176.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.58 -50.19 6.43 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 124.908 1.283 . . . . 0.0 112.212 -171.211 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 35.7 m -71.68 -18.07 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -175.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -154.62 122.44 5.85 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 124.576 1.151 . . . . 0.0 110.751 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.09 -51.94 2.32 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.557 1.543 . . . . 0.0 110.001 177.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.43 124.12 17.86 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.821 2.048 . . . . 0.0 112.125 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 64.1 mt 57.23 35.81 26.62 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.244 1.818 . . . . 0.0 111.939 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.98 -91.08 0.38 Allowed 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 124.521 1.128 . . . . 0.0 112.615 -167.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -113.39 -44.87 3.18 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 125.263 1.425 . . . . 0.0 111.1 -171.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -17.72 34.49 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 119.956 -1.715 . . . . 0.0 112.649 174.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.0 m -54.54 -59.29 4.9 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 128.097 2.559 . . . . 0.0 113.094 164.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.14 -41.99 48.2 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 122.137 0.97 . . . . 0.0 111.444 -172.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -66.93 -46.71 73.93 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 121.269 -0.894 . . . . 0.0 110.025 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -59.17 -41.03 96.47 Favored Glycine 0 C--O 1.209 -1.412 0 O-C-N 120.778 -1.201 . . . . 0.0 113.728 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.69 -16.15 57.63 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 119.784 -2.01 . . . . 0.0 113.289 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.07 -18.63 20.04 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 124.644 1.178 . . . . 0.0 113.672 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 73.3 t -115.24 -35.88 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.322 1.049 . . . . 0.0 111.954 -170.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.58 -48.55 4.29 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 124.835 1.254 . . . . 0.0 110.946 -174.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 C--O 1.252 1.186 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -174.187 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 1 N--CA 1.54 4.054 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 79.2 t -69.02 152.07 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.337 1.455 . . . . 0.0 110.256 176.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -81.21 -42.13 21.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.163 1.385 . . . . 0.0 113.189 -167.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 35.8 m -88.55 -15.98 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.508 1.523 . . . . 0.0 114.406 -176.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -159.26 151.21 20.77 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.547 1.139 . . . . 0.0 111.471 -173.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -137.35 -55.37 0.7 Allowed 'General case' 0 C--O 1.212 -0.905 0 C-N-CA 125.919 1.688 . . . . 0.0 109.829 169.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -59.93 125.59 24.24 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 125.835 1.654 . . . . 0.0 112.956 -175.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 12.6 tp 54.76 37.41 28.37 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.298 1.839 . . . . 0.0 112.267 -175.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.86 -91.11 0.36 Allowed 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 124.785 1.234 . . . . 0.0 112.103 -168.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -112.94 -43.76 3.37 Favored 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 125.095 1.358 . . . . 0.0 111.482 -172.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -17.76 41.02 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 120.296 -1.503 . . . . 0.0 112.797 175.097 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 28.3 m -58.08 -55.46 34.69 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 128.052 2.541 . . . . 0.0 113.114 166.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -78.42 -41.98 31.41 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.757 0.789 . . . . 0.0 111.771 -174.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -65.53 -45.14 84.6 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-O 122.079 0.942 . . . . 0.0 110.005 175.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.93 -40.22 92.89 Favored Glycine 0 C--O 1.211 -1.31 0 CA-C-O 122.934 1.297 . . . . 0.0 113.615 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -77.76 -15.82 58.85 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 119.431 -2.217 . . . . 0.0 114.035 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.65 -17.44 19.47 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 125.158 1.383 . . . . 0.0 114.231 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 73.7 t -116.0 -36.06 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.563 1.145 . . . . 0.0 112.04 -170.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.6 mt -101.18 -48.81 4.28 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 124.83 1.252 . . . . 0.0 110.776 -175.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 49.9 t80 . . . . . 0 C--O 1.257 1.495 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -176.702 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.535 3.782 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.27 144.64 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-O 123.046 1.403 . . . . 0.0 109.377 167.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -79.4 -53.94 6.42 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.426 1.09 . . . . 0.0 111.397 -166.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 33.9 m -87.9 -13.15 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.275 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -170.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -150.9 126.39 10.13 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 123.919 0.888 . . . . 0.0 110.207 -176.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -126.73 -49.24 1.5 Allowed 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 125.353 1.461 . . . . 0.0 109.607 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -56.35 123.09 13.46 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.181 1.792 . . . . 0.0 112.205 176.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 59.94 33.68 21.5 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.027 1.731 . . . . 0.0 111.966 -176.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.91 -90.94 0.36 Allowed 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 124.97 1.308 . . . . 0.0 112.344 -167.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -110.51 -49.47 3.05 Favored 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 124.965 1.306 . . . . 0.0 111.248 -171.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -16.96 26.24 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 123.045 1.402 . . . . 0.0 112.793 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 33.1 m -59.69 -55.31 35.91 Favored 'General case' 0 C--O 1.218 -0.563 0 C-N-CA 127.603 2.361 . . . . 0.0 113.184 168.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -77.27 -40.57 44.2 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.121 -0.987 . . . . 0.0 111.831 -174.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -68.34 -47.73 66.71 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-O 122.672 1.225 . . . . 0.0 110.292 176.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -59.37 -38.65 93.7 Favored Glycine 0 C--O 1.212 -1.224 0 CA-C-O 122.657 1.143 . . . . 0.0 113.827 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.14 -18.96 52.2 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 119.531 -2.158 . . . . 0.0 113.423 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -93.94 -18.76 21.58 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 124.983 1.313 . . . . 0.0 113.862 174.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 80.8 t -115.35 -35.59 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.591 1.157 . . . . 0.0 112.66 -170.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mt -103.27 -49.3 3.76 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.727 1.211 . . . . 0.0 111.197 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 30.8 t80 . . . . . 0 C--O 1.253 1.282 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -170.804 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.53 HD13 ' H ' ' A' ' 533' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.535 3.776 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.53 ' H ' HD13 ' A' ' 532' ' ' LEU . 17.6 t -64.04 141.69 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 126.101 1.76 . . . . 0.0 110.864 -178.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 27.52 0.09 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.947 2.203 . . . . 0.0 116.947 -174.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 3.3 p -178.41 -49.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 128.191 2.596 . . . . 0.0 111.045 -178.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -93.83 72.15 4.16 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 123.911 1.815 . . . . 0.0 111.292 -171.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.22 -64.54 1.04 Allowed 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.373 171.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -68.65 124.28 23.18 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.545 1.138 . . . . 0.0 113.495 -168.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 60.04 28.88 18.47 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.48 1.912 . . . . 0.0 111.796 -173.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.47 -86.21 0.43 Allowed 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 124.8 1.24 . . . . 0.0 112.363 -164.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -112.49 -48.84 2.99 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 124.453 1.101 . . . . 0.0 110.255 -169.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -15.66 31.59 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.496 -1.377 . . . . 0.0 113.648 176.254 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 28.9 m -63.09 -56.79 13.85 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 127.539 2.336 . . . . 0.0 112.234 168.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -77.0 -40.8 45.31 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 121.876 0.845 . . . . 0.0 111.796 -173.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -68.91 -46.12 69.12 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 122.203 1.001 . . . . 0.0 110.439 176.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.96 -39.89 92.48 Favored Glycine 0 C--O 1.208 -1.475 0 CA-C-O 122.863 1.257 . . . . 0.0 114.054 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.88 -17.22 53.69 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 119.919 -1.93 . . . . 0.0 113.669 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -94.83 -20.06 19.78 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 125.331 1.452 . . . . 0.0 113.724 173.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 82.8 t -114.74 -36.34 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.333 1.053 . . . . 0.0 112.34 -170.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -100.72 -49.27 4.22 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 124.522 1.129 . . . . 0.0 111.399 -175.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--O 1.253 1.269 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -172.977 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.537 3.883 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 88.9 t -152.11 148.95 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 128.132 2.573 . . . . 0.0 106.963 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.33 -29.84 10.98 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -174.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 65.8 t -71.81 -30.7 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.992 1.317 . . . . 0.0 111.455 177.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -151.42 158.6 43.91 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 126.0 1.72 . . . . 0.0 110.494 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.88 -57.07 0.05 OUTLIER 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 126.298 1.839 . . . . 0.0 112.152 173.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.74 122.36 12.65 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.493 1.517 . . . . 0.0 112.636 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 64.43 18.28 11.26 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.053 2.141 . . . . 0.0 112.588 -175.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.06 -90.49 0.57 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.341 1.456 . . . . 0.0 112.716 -165.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -109.64 -52.9 2.72 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.395 1.478 . . . . 0.0 110.195 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -18.9 35.31 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.78 -1.2 . . . . 0.0 113.484 177.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.4 m -63.18 -55.35 25.83 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 127.676 2.39 . . . . 0.0 112.564 170.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -74.91 -40.82 60.65 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-O 121.631 0.729 . . . . 0.0 111.562 -174.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -67.58 -46.18 73.41 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 122.113 0.958 . . . . 0.0 110.374 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -54.98 -40.51 73.5 Favored Glycine 0 C--O 1.208 -1.494 0 CA-C-O 122.509 1.061 . . . . 0.0 113.868 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -80.95 -19.92 43.12 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 119.645 -2.091 . . . . 0.0 113.629 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -92.97 -19.69 21.35 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 125.21 1.404 . . . . 0.0 113.516 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 99.4 t -113.75 -37.31 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.916 1.287 . . . . 0.0 112.533 -172.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.1 mt -101.54 -48.81 4.21 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 122.177 0.989 . . . . 0.0 111.372 -173.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 23.9 t80 . . . . . 0 C--O 1.254 1.312 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -172.339 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 1 N--CA 1.541 4.09 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 51.6 t -58.1 145.28 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 125.828 1.651 . . . . 0.0 111.422 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -90.45 -43.66 10.13 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 125.272 1.429 . . . . 0.0 112.417 -168.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 87.0 t -75.45 -36.68 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 125.18 1.392 . . . . 0.0 112.233 -176.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -135.13 135.61 41.27 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 125.385 1.474 . . . . 0.0 110.04 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -131.79 -53.68 1.0 Allowed 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 124.746 1.218 . . . . 0.0 109.892 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -55.76 123.03 12.8 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 126.434 1.893 . . . . 0.0 112.137 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 60.2 mt 57.81 31.65 20.8 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.241 1.816 . . . . 0.0 112.735 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.31 -86.65 0.56 Allowed 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 124.666 1.187 . . . . 0.0 112.18 -167.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -116.99 -44.47 2.81 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 125.525 1.53 . . . . 0.0 111.673 -172.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -17.36 35.23 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 120.047 -1.658 . . . . 0.0 112.843 174.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 32.4 m -57.86 -57.89 10.81 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 128.098 2.559 . . . . 0.0 113.428 165.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.96 -41.04 52.64 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.261 -0.899 . . . . 0.0 112.049 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -67.59 -44.77 77.34 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 121.86 0.838 . . . . 0.0 110.462 176.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.95 -41.29 91.95 Favored Glycine 0 C--O 1.211 -1.325 0 CA-C-O 123.031 1.35 . . . . 0.0 113.673 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -80.27 -15.99 55.71 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 119.737 -2.037 . . . . 0.0 113.092 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.16 -20.12 19.51 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 125.146 1.378 . . . . 0.0 114.303 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 76.1 t -113.79 -36.88 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.268 1.027 . . . . 0.0 112.126 -170.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.36 -48.24 4.65 Favored 'General case' 0 C--O 1.213 -0.835 0 C-N-CA 124.548 1.139 . . . . 0.0 110.866 -174.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 44.4 t80 . . . . . 0 C--O 1.254 1.34 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -174.586 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 532' ' ' LEU . . . . . 0.563 HD13 ' H ' ' A' ' 533' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.539 3.995 0 CA-C-O 121.064 0.459 . . . . 0.0 112.087 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.563 ' H ' HD13 ' A' ' 532' ' ' LEU . 54.2 t -54.42 147.29 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-O 123.04 1.4 . . . . 0.0 111.302 174.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -90.47 -47.81 7.49 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 124.853 1.261 . . . . 0.0 111.943 -170.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.05 -18.04 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -177.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -154.53 149.91 27.22 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 125.758 1.623 . . . . 0.0 110.689 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.17 -56.66 0.08 Allowed 'General case' 0 C--O 1.214 -0.799 0 C-N-CA 125.473 1.509 . . . . 0.0 112.399 173.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -58.14 120.88 9.41 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.442 1.897 . . . . 0.0 112.549 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 11.3 tp 57.71 29.22 17.01 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.053 1.741 . . . . 0.0 112.879 -175.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.48 -79.34 0.52 Allowed 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 125.445 1.498 . . . . 0.0 112.758 -165.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -118.03 -52.38 2.42 Favored 'General case' 0 C--O 1.213 -0.822 0 C-N-CA 124.442 1.097 . . . . 0.0 110.779 -167.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -17.05 41.31 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 122.802 1.286 . . . . 0.0 113.142 176.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.8 m -59.15 -57.62 12.24 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 127.608 2.363 . . . . 0.0 113.191 166.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -77.19 -41.17 42.55 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.247 -0.908 . . . . 0.0 111.787 -173.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -66.4 -45.2 80.76 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 122.003 0.906 . . . . 0.0 109.869 175.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.03 -40.74 91.8 Favored Glycine 0 C--O 1.21 -1.361 0 CA-C-O 122.984 1.324 . . . . 0.0 113.231 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.25 -18.02 53.61 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 119.483 -2.187 . . . . 0.0 113.884 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.25 -18.89 20.47 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.134 1.374 . . . . 0.0 113.961 175.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.06 -36.65 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.761 1.224 . . . . 0.0 112.457 -172.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mt -101.45 -48.03 4.48 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 124.215 1.006 . . . . 0.0 111.439 -174.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 41.4 t80 . . . . . 0 C--O 1.251 1.184 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -173.462 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 3.9 pp . . . . . 0 N--CA 1.537 3.89 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 64.6 t -57.28 134.02 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.623 1.569 . . . . 0.0 111.894 -173.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.84 -37.11 19.54 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.709 -1.132 . . . . 0.0 113.919 -171.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 34.6 m -77.32 -17.57 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.609 1.164 . . . . 0.0 113.916 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -157.61 112.1 2.65 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 124.553 1.141 . . . . 0.0 110.86 -173.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.64 -54.79 2.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.802 1.641 . . . . 0.0 111.176 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -65.94 122.46 17.41 Favored 'General case' 0 C--O 1.218 -0.595 0 C-N-CA 126.034 1.733 . . . . 0.0 112.815 -175.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 8.2 tp 65.03 20.09 12.0 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.544 1.938 . . . . 0.0 112.428 -174.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.79 -66.92 0.91 Allowed 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 125.296 1.438 . . . . 0.0 113.271 -168.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -129.99 -55.04 1.13 Allowed 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 123.668 0.787 . . . . 0.0 112.015 -164.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -18.48 26.36 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 123.499 1.619 . . . . 0.0 113.229 174.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 39.4 m -61.99 -57.69 10.72 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 128.445 2.698 . . . . 0.0 113.11 169.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.33 -40.99 61.84 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.187 -0.946 . . . . 0.0 111.557 -173.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.07 -48.67 51.23 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 122.428 1.109 . . . . 0.0 110.067 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -55.93 -40.3 81.23 Favored Glycine 0 C--O 1.212 -1.241 0 CA-C-O 122.739 1.188 . . . . 0.0 114.166 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -80.72 -17.84 49.74 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 119.82 -1.988 . . . . 0.0 113.587 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -94.91 -20.68 19.2 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 124.707 1.203 . . . . 0.0 113.033 175.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 95.7 t -112.69 -36.61 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.423 1.089 . . . . 0.0 112.155 -171.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.0 mt -101.4 -48.05 4.48 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.257 1.023 . . . . 0.0 111.08 -174.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 36.9 t80 . . . . . 0 C--O 1.256 1.404 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -172.568 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -116.04 -48.4 2.74 Favored 'General case' 0 C--O 1.214 -0.793 0 C-N-CA 125.586 1.555 . . . . 0.0 111.109 -173.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -18.45 30.96 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.481 -1.387 . . . . 0.0 113.183 175.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.3 m -60.97 -54.83 40.16 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 127.746 2.418 . . . . 0.0 112.963 169.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -76.83 -41.38 44.47 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.332 -0.855 . . . . 0.0 111.929 -175.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -68.51 -45.52 72.06 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 122.318 1.056 . . . . 0.0 110.33 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -58.58 -39.92 93.9 Favored Glycine 0 C--O 1.208 -1.478 0 O-C-N 120.545 -1.347 . . . . 0.0 113.793 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.14 -16.87 56.01 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 120.056 -1.849 . . . . 0.0 113.569 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.25 -19.98 19.57 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 125.351 1.46 . . . . 0.0 113.932 173.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 83.1 t -114.54 -36.18 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.556 1.142 . . . . 0.0 112.519 -170.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.5 mt -100.89 -48.45 4.46 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 124.624 1.17 . . . . 0.0 111.174 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 41.5 t80 . . . . . 0 C--O 1.255 1.386 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -174.217 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -130.53 -55.98 1.08 Allowed 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 123.801 0.84 . . . . 0.0 112.207 -169.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -18.09 37.68 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.303 -1.498 . . . . 0.0 113.052 175.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 44.1 m -60.79 -58.1 9.86 Favored 'General case' 0 C--O 1.214 -0.778 0 C-N-CA 129.135 2.974 . . . . 0.0 112.897 169.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.43 -39.17 62.77 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.289 -0.882 . . . . 0.0 111.653 -173.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -73.88 -46.98 41.33 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.765 0.793 . . . . 0.0 110.207 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.99 -38.97 91.16 Favored Glycine 0 C--O 1.212 -1.273 0 O-C-N 120.661 -1.274 . . . . 0.0 113.515 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.67 -14.64 59.2 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 119.421 -2.223 . . . . 0.0 113.688 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -98.62 -18.72 17.95 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 125.339 1.456 . . . . 0.0 113.782 173.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 71.6 t -113.98 -36.5 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.74 1.216 . . . . 0.0 111.948 -170.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.05 -47.83 4.43 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 125.041 1.336 . . . . 0.0 110.852 -175.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 C--O 1.254 1.308 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -174.832 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.215 -0.73 0 CA-C-O 121.206 0.527 . . . . 0.0 112.135 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -123.34 -51.93 1.85 Allowed 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 124.371 1.068 . . . . 0.0 110.811 -163.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -18.08 17.93 Favored 'General case' 0 C--O 1.209 -1.027 0 O-C-N 120.669 -1.269 . . . . 0.0 113.36 172.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 34.8 m -58.05 -60.02 4.38 Favored 'General case' 0 C--O 1.215 -0.759 0 C-N-CA 127.768 2.427 . . . . 0.0 112.957 166.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -74.37 -41.42 61.03 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.193 -0.942 . . . . 0.0 112.456 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -66.63 -44.46 81.93 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 121.069 -1.02 . . . . 0.0 110.122 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.56 -40.65 92.76 Favored Glycine 0 C--O 1.209 -1.409 0 O-C-N 120.702 -1.249 . . . . 0.0 113.583 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.69 -16.17 57.6 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 119.792 -2.004 . . . . 0.0 113.732 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.89 -19.09 19.82 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 125.683 1.593 . . . . 0.0 114.17 173.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 78.5 t -114.91 -36.55 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.342 1.057 . . . . 0.0 112.398 -170.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.5 mt -101.66 -48.26 4.36 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 124.695 1.198 . . . . 0.0 111.05 -174.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 45.2 t80 . . . . . 0 C--O 1.254 1.339 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -175.521 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.215 -0.724 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -119.95 -53.99 2.15 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.201 1.0 . . . . 0.0 111.502 -166.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -19.16 47.28 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 120.156 -1.59 . . . . 0.0 112.998 175.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 43.0 m -60.68 -54.86 40.16 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 128.169 2.588 . . . . 0.0 113.527 169.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.63 -39.89 50.95 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 121.787 0.803 . . . . 0.0 111.313 -174.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -67.52 -45.37 75.98 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-O 121.794 0.807 . . . . 0.0 110.07 174.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -55.14 -39.89 72.29 Favored Glycine 0 C--O 1.21 -1.405 0 CA-C-O 122.902 1.279 . . . . 0.0 113.444 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.01 -15.77 57.79 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 119.368 -2.254 . . . . 0.0 113.861 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.92 -19.2 18.98 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 125.156 1.382 . . . . 0.0 113.867 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 71.8 t -114.19 -36.45 2.34 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.647 0 C-N-CA 124.928 1.291 . . . . 0.0 111.976 -170.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.8 mt -101.48 -47.55 4.63 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.811 1.244 . . . . 0.0 111.213 -175.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--O 1.253 1.266 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -176.582 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.217 -0.621 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -116.52 -46.17 2.78 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 124.795 1.238 . . . . 0.0 111.347 -170.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -18.03 22.41 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.434 -1.417 . . . . 0.0 113.577 172.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.0 m -57.4 -57.4 12.84 Favored 'General case' 0 C--O 1.214 -0.788 0 C-N-CA 127.852 2.461 . . . . 0.0 113.138 167.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -76.59 -40.47 49.47 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.281 -0.887 . . . . 0.0 111.783 -174.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -65.86 -46.79 77.15 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-O 122.363 1.078 . . . . 0.0 110.389 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.45 -40.38 92.1 Favored Glycine 0 C--O 1.208 -1.498 0 O-C-N 120.814 -1.179 . . . . 0.0 113.467 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.43 -17.33 54.52 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 119.792 -2.004 . . . . 0.0 113.834 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.31 -19.65 19.8 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 125.386 1.474 . . . . 0.0 113.769 174.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 80.5 t -113.79 -37.48 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.914 1.285 . . . . 0.0 111.935 -170.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mt -101.46 -48.35 4.38 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 124.987 1.315 . . . . 0.0 111.06 -174.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 38.4 t80 . . . . . 0 C--O 1.254 1.303 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -173.468 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -135.74 -50.12 0.71 Allowed 'General case' 0 C--O 1.212 -0.902 0 C-N-CA 123.693 0.797 . . . . 0.0 111.719 -172.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -15.15 31.89 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 120.446 -1.408 . . . . 0.0 113.832 174.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 53.8 m -55.87 -58.59 7.21 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 128.222 2.609 . . . . 0.0 113.603 163.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.01 -40.31 31.79 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.137 -0.977 . . . . 0.0 111.789 -173.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -65.72 -44.52 85.79 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-O 121.954 0.883 . . . . 0.0 110.165 174.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -58.39 -39.95 93.51 Favored Glycine 0 C--O 1.208 -1.53 0 CA-C-O 123.064 1.369 . . . . 0.0 113.557 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -77.79 -15.24 59.24 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 119.533 -2.157 . . . . 0.0 113.961 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.16 -19.39 18.67 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 125.283 1.433 . . . . 0.0 114.204 172.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 75.6 t -114.89 -36.2 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.473 1.109 . . . . 0.0 111.759 -169.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mt -101.22 -48.74 4.29 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 125.268 1.427 . . . . 0.0 110.482 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 48.8 t80 . . . . . 0 C--O 1.254 1.32 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -176.572 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.643 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -114.79 -46.79 2.92 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 125.017 1.327 . . . . 0.0 111.402 -170.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -17.54 25.61 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 120.71 -1.244 . . . . 0.0 113.052 174.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 37.0 m -59.82 -55.08 38.68 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 128.077 2.551 . . . . 0.0 113.626 168.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -78.7 -40.75 32.92 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.717 0.77 . . . . 0.0 111.348 -174.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -67.89 -46.58 71.22 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 122.131 0.967 . . . . 0.0 110.378 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.96 -39.72 92.23 Favored Glycine 0 C--O 1.21 -1.375 0 O-C-N 120.831 -1.168 . . . . 0.0 113.587 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.36 -16.67 55.9 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 119.825 -1.985 . . . . 0.0 113.52 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.06 -18.91 19.84 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.567 1.547 . . . . 0.0 113.92 173.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 75.6 t -114.88 -36.01 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.732 1.213 . . . . 0.0 112.098 -170.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.0 -48.85 4.11 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 124.895 1.278 . . . . 0.0 111.113 -174.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 43.4 t80 . . . . . 0 C--O 1.254 1.311 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -173.666 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -126.78 -53.46 1.43 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.97 0.908 . . . . 0.0 112.285 -165.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -16.75 40.48 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-O 122.724 1.249 . . . . 0.0 113.086 173.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 63.8 m -56.23 -61.93 2.06 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 128.31 2.644 . . . . 0.0 112.93 165.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.12 -41.29 64.15 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.351 -0.843 . . . . 0.0 111.989 -174.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -67.38 -44.4 79.01 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 122.403 1.097 . . . . 0.0 110.338 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.81 -41.11 90.67 Favored Glycine 0 C--O 1.208 -1.472 0 O-C-N 120.526 -1.359 . . . . 0.0 112.874 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.61 -17.17 56.46 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 119.271 -2.311 . . . . 0.0 113.96 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -94.93 -19.74 19.99 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 125.183 1.393 . . . . 0.0 114.01 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 82.3 t -113.72 -37.12 2.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 C-N-CA 124.64 1.176 . . . . 0.0 111.962 -170.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mt -100.59 -48.44 4.52 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 124.963 1.305 . . . . 0.0 111.295 -174.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 C--O 1.252 1.204 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -174.237 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 121.439 0.637 . . . . 0.0 112.643 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -122.1 -47.41 2.15 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 124.835 1.254 . . . . 0.0 111.465 -170.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -18.07 15.75 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.256 -1.528 . . . . 0.0 113.352 172.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 27.6 m -57.87 -58.71 7.21 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 128.079 2.551 . . . . 0.0 113.12 166.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -74.14 -40.69 62.45 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.328 -0.857 . . . . 0.0 111.567 -174.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -66.36 -46.31 77.17 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 122.078 0.942 . . . . 0.0 110.095 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.73 -40.71 89.33 Favored Glycine 0 C--O 1.213 -1.184 0 CA-C-O 123.042 1.357 . . . . 0.0 113.607 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.87 -14.74 58.43 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 119.979 -1.894 . . . . 0.0 113.84 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.1 -19.91 18.36 Favored 'General case' 0 C--O 1.215 -0.752 0 C-N-CA 125.61 1.564 . . . . 0.0 113.984 172.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 74.9 t -114.72 -35.44 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.606 1.162 . . . . 0.0 112.33 -170.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.31 -49.18 4.14 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 124.929 1.291 . . . . 0.0 111.024 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 42.1 t80 . . . . . 0 C--O 1.252 1.2 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.795 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.538 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -110.01 -45.18 3.65 Favored 'General case' 0 C--O 1.212 -0.914 0 C-N-CA 125.229 1.412 . . . . 0.0 111.488 -171.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -16.85 15.22 Favored 'General case' 0 C--O 1.209 -1.026 0 O-C-N 120.612 -1.305 . . . . 0.0 112.974 174.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 30.2 m -61.89 -57.29 12.33 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 128.036 2.535 . . . . 0.0 112.501 169.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -76.79 -40.38 48.33 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.358 -0.839 . . . . 0.0 111.839 -173.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -69.95 -47.32 62.81 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 122.331 1.063 . . . . 0.0 110.21 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -60.03 -38.59 94.49 Favored Glycine 0 C--O 1.208 -1.498 0 O-C-N 120.863 -1.148 . . . . 0.0 113.434 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.7 -15.6 58.27 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 119.995 -1.885 . . . . 0.0 113.712 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.71 -19.86 18.66 Favored 'General case' 0 C--O 1.214 -0.804 0 C-N-CA 125.231 1.412 . . . . 0.0 114.226 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 73.3 t -113.42 -36.2 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.711 1.204 . . . . 0.0 112.17 -170.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.93 -48.37 4.28 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 125.288 1.435 . . . . 0.0 111.424 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 39.4 t80 . . . . . 0 C--O 1.253 1.276 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -175.89 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.215 -0.749 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -131.11 -54.85 1.04 Allowed 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 123.799 0.84 . . . . 0.0 111.216 -163.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -15.19 35.39 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 120.398 -1.439 . . . . 0.0 113.229 173.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 58.7 m -58.92 -60.0 4.56 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 128.454 2.701 . . . . 0.0 113.054 165.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -73.83 -41.12 62.75 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.288 -0.883 . . . . 0.0 111.529 -173.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -69.58 -45.97 67.42 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-O 122.164 0.983 . . . . 0.0 109.994 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.51 -40.98 88.16 Favored Glycine 0 C--O 1.211 -1.289 0 CA-C-O 123.12 1.4 . . . . 0.0 113.476 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.05 -16.1 57.29 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 119.604 -2.115 . . . . 0.0 113.946 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.11 -20.36 18.7 Favored 'General case' 0 C--O 1.216 -0.665 0 C-N-CA 125.448 1.499 . . . . 0.0 114.149 172.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 79.5 t -112.8 -36.61 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.836 1.254 . . . . 0.0 111.97 -171.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mt -101.04 -48.56 4.39 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 124.754 1.222 . . . . 0.0 110.978 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 45.3 t80 . . . . . 0 C--O 1.254 1.297 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -175.3 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.216 -0.659 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -131.82 -52.0 0.98 Allowed 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 124.138 0.975 . . . . 0.0 112.536 -166.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -16.73 16.59 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 123.141 1.448 . . . . 0.0 113.184 172.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 30.7 m -61.93 -58.33 8.31 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 128.772 2.829 . . . . 0.0 112.55 169.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -74.1 -40.67 62.54 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 122.085 0.945 . . . . 0.0 111.591 -173.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -72.26 -49.1 37.55 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 122.341 1.067 . . . . 0.0 110.584 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.97 -34.42 89.89 Favored Glycine 0 C--O 1.208 -1.509 0 O-C-N 120.781 -1.199 . . . . 0.0 113.817 -174.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -77.35 -15.94 59.15 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 119.647 -2.09 . . . . 0.0 113.363 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.97 -15.51 20.07 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 125.681 1.592 . . . . 0.0 114.086 172.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 70.5 t -117.48 -34.92 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.564 1.145 . . . . 0.0 112.234 -170.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.11 -48.89 3.75 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 125.438 1.495 . . . . 0.0 111.05 -175.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 39.0 t80 . . . . . 0 C--O 1.254 1.336 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -172.19 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.218 -0.559 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -113.39 -44.87 3.18 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 125.263 1.425 . . . . 0.0 111.1 -171.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -17.72 34.49 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 119.956 -1.715 . . . . 0.0 112.649 174.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.0 m -54.54 -59.29 4.9 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 128.097 2.559 . . . . 0.0 113.094 164.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.14 -41.99 48.2 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 122.137 0.97 . . . . 0.0 111.444 -172.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -66.93 -46.71 73.93 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 121.269 -0.894 . . . . 0.0 110.025 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -59.17 -41.03 96.47 Favored Glycine 0 C--O 1.209 -1.412 0 O-C-N 120.778 -1.201 . . . . 0.0 113.728 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.69 -16.15 57.63 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 119.784 -2.01 . . . . 0.0 113.289 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.07 -18.63 20.04 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 124.644 1.178 . . . . 0.0 113.672 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 73.3 t -115.24 -35.88 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.322 1.049 . . . . 0.0 111.954 -170.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.58 -48.55 4.29 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 124.835 1.254 . . . . 0.0 110.946 -174.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 C--O 1.252 1.186 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -174.187 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.216 -0.679 0 CA-C-O 121.057 0.456 . . . . 0.0 112.103 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -112.94 -43.76 3.37 Favored 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 125.095 1.358 . . . . 0.0 111.482 -172.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -17.76 41.02 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 120.296 -1.503 . . . . 0.0 112.797 175.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 28.3 m -58.08 -55.46 34.69 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 128.052 2.541 . . . . 0.0 113.114 166.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -78.42 -41.98 31.41 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.757 0.789 . . . . 0.0 111.771 -174.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -65.53 -45.14 84.6 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-O 122.079 0.942 . . . . 0.0 110.005 175.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.93 -40.22 92.89 Favored Glycine 0 C--O 1.211 -1.31 0 CA-C-O 122.934 1.297 . . . . 0.0 113.615 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -77.76 -15.82 58.85 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 119.431 -2.217 . . . . 0.0 114.035 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.65 -17.44 19.47 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 125.158 1.383 . . . . 0.0 114.231 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 73.7 t -116.0 -36.06 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.563 1.145 . . . . 0.0 112.04 -170.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.6 mt -101.18 -48.81 4.28 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 124.83 1.252 . . . . 0.0 110.776 -175.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 49.9 t80 . . . . . 0 C--O 1.257 1.495 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -176.702 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.218 -0.604 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -110.51 -49.47 3.05 Favored 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 124.965 1.306 . . . . 0.0 111.248 -171.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -16.96 26.24 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 123.045 1.402 . . . . 0.0 112.793 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 33.1 m -59.69 -55.31 35.91 Favored 'General case' 0 C--O 1.218 -0.563 0 C-N-CA 127.603 2.361 . . . . 0.0 113.184 168.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -77.27 -40.57 44.2 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.121 -0.987 . . . . 0.0 111.831 -174.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -68.34 -47.73 66.71 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-O 122.672 1.225 . . . . 0.0 110.292 176.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -59.37 -38.65 93.7 Favored Glycine 0 C--O 1.212 -1.224 0 CA-C-O 122.657 1.143 . . . . 0.0 113.827 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.14 -18.96 52.2 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 119.531 -2.158 . . . . 0.0 113.423 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -93.94 -18.76 21.58 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 124.983 1.313 . . . . 0.0 113.862 174.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 80.8 t -115.35 -35.59 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.591 1.157 . . . . 0.0 112.66 -170.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mt -103.27 -49.3 3.76 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.727 1.211 . . . . 0.0 111.197 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 30.8 t80 . . . . . 0 C--O 1.253 1.282 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -170.804 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.216 -0.682 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -112.49 -48.84 2.99 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 124.453 1.101 . . . . 0.0 110.255 -169.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -15.66 31.59 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.496 -1.377 . . . . 0.0 113.648 176.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 28.9 m -63.09 -56.79 13.85 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 127.539 2.336 . . . . 0.0 112.234 168.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -77.0 -40.8 45.31 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 121.876 0.845 . . . . 0.0 111.796 -173.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -68.91 -46.12 69.12 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 122.203 1.001 . . . . 0.0 110.439 176.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.96 -39.89 92.48 Favored Glycine 0 C--O 1.208 -1.475 0 CA-C-O 122.863 1.257 . . . . 0.0 114.054 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.88 -17.22 53.69 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 119.919 -1.93 . . . . 0.0 113.669 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -94.83 -20.06 19.78 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 125.331 1.452 . . . . 0.0 113.724 173.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 82.8 t -114.74 -36.34 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.333 1.053 . . . . 0.0 112.34 -170.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -100.72 -49.27 4.22 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 124.522 1.129 . . . . 0.0 111.399 -175.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--O 1.253 1.269 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -172.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.711 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -109.64 -52.9 2.72 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.395 1.478 . . . . 0.0 110.195 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -18.9 35.31 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.78 -1.2 . . . . 0.0 113.484 177.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.4 m -63.18 -55.35 25.83 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 127.676 2.39 . . . . 0.0 112.564 170.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -74.91 -40.82 60.65 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-O 121.631 0.729 . . . . 0.0 111.562 -174.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -67.58 -46.18 73.41 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 122.113 0.958 . . . . 0.0 110.374 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -54.98 -40.51 73.5 Favored Glycine 0 C--O 1.208 -1.494 0 CA-C-O 122.509 1.061 . . . . 0.0 113.868 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -80.95 -19.92 43.12 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 119.645 -2.091 . . . . 0.0 113.629 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -92.97 -19.69 21.35 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 125.21 1.404 . . . . 0.0 113.516 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 99.4 t -113.75 -37.31 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.916 1.287 . . . . 0.0 112.533 -172.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.1 mt -101.54 -48.81 4.21 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 122.177 0.989 . . . . 0.0 111.372 -173.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 23.9 t80 . . . . . 0 C--O 1.254 1.312 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -172.339 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.591 0 CA-C-O 121.302 0.572 . . . . 0.0 112.18 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -116.99 -44.47 2.81 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 125.525 1.53 . . . . 0.0 111.673 -172.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -17.36 35.23 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 120.047 -1.658 . . . . 0.0 112.843 174.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 32.4 m -57.86 -57.89 10.81 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 128.098 2.559 . . . . 0.0 113.428 165.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.96 -41.04 52.64 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.261 -0.899 . . . . 0.0 112.049 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -67.59 -44.77 77.34 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 121.86 0.838 . . . . 0.0 110.462 176.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.95 -41.29 91.95 Favored Glycine 0 C--O 1.211 -1.325 0 CA-C-O 123.031 1.35 . . . . 0.0 113.673 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -80.27 -15.99 55.71 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 119.737 -2.037 . . . . 0.0 113.092 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.16 -20.12 19.51 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 125.146 1.378 . . . . 0.0 114.303 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 76.1 t -113.79 -36.88 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.268 1.027 . . . . 0.0 112.126 -170.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.36 -48.24 4.65 Favored 'General case' 0 C--O 1.213 -0.835 0 C-N-CA 124.548 1.139 . . . . 0.0 110.866 -174.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 44.4 t80 . . . . . 0 C--O 1.254 1.34 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -174.586 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.594 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -118.03 -52.38 2.42 Favored 'General case' 0 C--O 1.213 -0.822 0 C-N-CA 124.442 1.097 . . . . 0.0 110.779 -167.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -17.05 41.31 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 122.802 1.286 . . . . 0.0 113.142 176.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.8 m -59.15 -57.62 12.24 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 127.608 2.363 . . . . 0.0 113.191 166.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -77.19 -41.17 42.55 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.247 -0.908 . . . . 0.0 111.787 -173.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -66.4 -45.2 80.76 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 122.003 0.906 . . . . 0.0 109.869 175.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.03 -40.74 91.8 Favored Glycine 0 C--O 1.21 -1.361 0 CA-C-O 122.984 1.324 . . . . 0.0 113.231 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.25 -18.02 53.61 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 119.483 -2.187 . . . . 0.0 113.884 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.25 -18.89 20.47 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.134 1.374 . . . . 0.0 113.961 175.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.06 -36.65 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.761 1.224 . . . . 0.0 112.457 -172.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mt -101.45 -48.03 4.48 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 124.215 1.006 . . . . 0.0 111.439 -174.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 41.4 t80 . . . . . 0 C--O 1.251 1.184 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -173.462 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.217 -0.611 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -129.99 -55.04 1.13 Allowed 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 123.668 0.787 . . . . 0.0 112.015 -164.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -18.48 26.36 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 123.499 1.619 . . . . 0.0 113.229 174.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 39.4 m -61.99 -57.69 10.72 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 128.445 2.698 . . . . 0.0 113.11 169.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.33 -40.99 61.84 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.187 -0.946 . . . . 0.0 111.557 -173.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.07 -48.67 51.23 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 122.428 1.109 . . . . 0.0 110.067 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -55.93 -40.3 81.23 Favored Glycine 0 C--O 1.212 -1.241 0 CA-C-O 122.739 1.188 . . . . 0.0 114.166 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -80.72 -17.84 49.74 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 119.82 -1.988 . . . . 0.0 113.587 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -94.91 -20.68 19.2 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 124.707 1.203 . . . . 0.0 113.033 175.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 95.7 t -112.69 -36.61 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.423 1.089 . . . . 0.0 112.155 -171.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.0 mt -101.4 -48.05 4.48 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.257 1.023 . . . . 0.0 111.08 -174.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 36.9 t80 . . . . . 0 C--O 1.256 1.404 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -172.568 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.426 HD13 ' H ' ' A' ' 533' ' ' VAL . 0.2 OUTLIER . . . . . 1 N--CA 1.54 4.071 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.426 ' H ' HD13 ' A' ' 532' ' ' LEU . 49.4 t -60.82 145.77 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-O 122.747 1.26 . . . . 0.0 110.25 172.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -89.0 -50.23 6.3 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.509 1.124 . . . . 0.0 111.82 -169.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.47 -32.25 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 124.962 1.305 . . . . 0.0 112.332 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -140.38 138.5 34.85 Favored 'General case' 0 C--O 1.216 -0.675 0 C-N-CA 125.138 1.375 . . . . 0.0 110.052 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.34 -55.9 0.85 Allowed 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 125.178 1.391 . . . . 0.0 109.767 175.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -57.56 127.61 32.89 Favored 'General case' 0 C--O 1.215 -0.747 0 C-N-CA 125.57 1.548 . . . . 0.0 113.072 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 51.2 mt 62.05 20.01 11.26 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.344 1.858 . . . . 0.0 113.272 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.02 -87.91 0.63 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.067 1.347 . . . . 0.0 112.742 -162.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -116.04 -48.4 2.74 Favored 'General case' 0 C--O 1.214 -0.793 0 C-N-CA 125.586 1.555 . . . . 0.0 111.109 -173.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -18.45 30.96 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.481 -1.387 . . . . 0.0 113.183 175.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.3 m -60.97 -54.83 40.16 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 127.746 2.418 . . . . 0.0 112.963 169.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -76.83 -41.38 44.47 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 121.332 -0.855 . . . . 0.0 111.929 -175.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -68.51 -45.52 72.06 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 122.318 1.056 . . . . 0.0 110.33 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -58.58 -39.92 93.9 Favored Glycine 0 C--O 1.208 -1.478 0 O-C-N 120.545 -1.347 . . . . 0.0 113.793 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.14 -16.87 56.01 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 120.056 -1.849 . . . . 0.0 113.569 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.25 -19.98 19.57 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 125.351 1.46 . . . . 0.0 113.932 173.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 83.1 t -114.54 -36.18 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.556 1.142 . . . . 0.0 112.519 -170.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.5 mt -100.89 -48.45 4.46 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 124.624 1.17 . . . . 0.0 111.174 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 41.5 t80 . . . . . 0 C--O 1.255 1.386 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -174.217 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.536 3.827 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.66 145.93 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-O 122.743 1.258 . . . . 0.0 109.665 172.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -86.9 -55.35 3.88 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 125.367 1.467 . . . . 0.0 111.537 -171.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.87 -18.01 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -173.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -151.81 141.43 21.76 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 125.06 1.344 . . . . 0.0 109.989 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.8 -51.5 0.46 Allowed 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.51 1.524 . . . . 0.0 110.473 178.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -72.14 130.46 40.92 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 125.145 1.378 . . . . 0.0 113.278 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 47.1 mt 63.14 24.54 14.47 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.502 1.921 . . . . 0.0 112.035 -172.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.81 -68.46 0.48 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.752 1.221 . . . . 0.0 113.557 -161.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -130.53 -55.98 1.08 Allowed 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 123.801 0.84 . . . . 0.0 112.207 -169.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -18.09 37.68 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.303 -1.498 . . . . 0.0 113.052 175.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 44.1 m -60.79 -58.1 9.86 Favored 'General case' 0 C--O 1.214 -0.778 0 C-N-CA 129.135 2.974 . . . . 0.0 112.897 169.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.43 -39.17 62.77 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 121.289 -0.882 . . . . 0.0 111.653 -173.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -73.88 -46.98 41.33 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.765 0.793 . . . . 0.0 110.207 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.99 -38.97 91.16 Favored Glycine 0 C--O 1.212 -1.273 0 O-C-N 120.661 -1.274 . . . . 0.0 113.515 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.67 -14.64 59.2 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 119.421 -2.223 . . . . 0.0 113.688 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -98.62 -18.72 17.95 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 125.339 1.456 . . . . 0.0 113.782 173.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 71.6 t -113.98 -36.5 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.74 1.216 . . . . 0.0 111.948 -170.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.05 -47.83 4.43 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 125.041 1.336 . . . . 0.0 110.852 -175.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 C--O 1.254 1.308 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -174.832 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 N--CA 1.534 3.764 0 CA-C-O 120.548 0.214 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.95 146.37 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-O 122.89 1.329 . . . . 0.0 111.206 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.41 -47.95 6.9 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.634 1.574 . . . . 0.0 112.46 -173.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.06 -36.19 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.392 1.477 . . . . 0.0 112.319 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -137.8 134.08 34.78 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 125.185 1.394 . . . . 0.0 110.262 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.52 -51.42 1.0 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.423 1.489 . . . . 0.0 110.431 175.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -57.59 125.68 23.98 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 125.54 1.536 . . . . 0.0 112.622 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 7.2 mp 58.74 27.44 15.95 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.934 1.694 . . . . 0.0 112.358 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.12 -78.81 0.54 Allowed 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 125.639 1.576 . . . . 0.0 112.135 -167.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -123.34 -51.93 1.85 Allowed 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 124.371 1.068 . . . . 0.0 110.811 -163.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -18.08 17.93 Favored 'General case' 0 C--O 1.209 -1.027 0 O-C-N 120.669 -1.269 . . . . 0.0 113.36 172.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 34.8 m -58.05 -60.02 4.38 Favored 'General case' 0 C--O 1.215 -0.759 0 C-N-CA 127.768 2.427 . . . . 0.0 112.957 166.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -74.37 -41.42 61.03 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 121.193 -0.942 . . . . 0.0 112.456 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -66.63 -44.46 81.93 Favored 'General case' 0 C--O 1.215 -0.758 0 O-C-N 121.069 -1.02 . . . . 0.0 110.122 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.56 -40.65 92.76 Favored Glycine 0 C--O 1.209 -1.409 0 O-C-N 120.702 -1.249 . . . . 0.0 113.583 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.69 -16.17 57.6 Favored 'General case' 0 C--O 1.218 -0.57 0 O-C-N 119.792 -2.004 . . . . 0.0 113.732 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.89 -19.09 19.82 Favored 'General case' 0 C--O 1.216 -0.71 0 C-N-CA 125.683 1.593 . . . . 0.0 114.17 173.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 78.5 t -114.91 -36.55 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.342 1.057 . . . . 0.0 112.398 -170.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.5 mt -101.66 -48.26 4.36 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 124.695 1.198 . . . . 0.0 111.05 -174.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 45.2 t80 . . . . . 0 C--O 1.254 1.339 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -175.521 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 1 N--CA 1.543 4.19 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 61.1 t -65.27 144.72 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-O 122.899 1.333 . . . . 0.0 109.186 172.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -87.81 -52.38 5.33 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.72 1.208 . . . . 0.0 111.356 -169.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 86.5 t -66.99 -34.25 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 125.85 1.66 . . . . 0.0 111.979 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -142.09 137.49 31.02 Favored 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 124.788 1.235 . . . . 0.0 110.466 -175.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.77 -52.3 0.74 Allowed 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 125.712 1.605 . . . . 0.0 110.715 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -73.29 132.3 42.95 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.516 1.526 . . . . 0.0 113.295 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 53.6 mt 59.39 27.8 17.0 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.921 1.688 . . . . 0.0 112.106 -171.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.71 -80.35 0.36 Allowed 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 125.593 1.557 . . . . 0.0 112.487 -164.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -119.95 -53.99 2.15 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.201 1.0 . . . . 0.0 111.502 -166.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -19.16 47.28 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 120.156 -1.59 . . . . 0.0 112.998 175.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 43.0 m -60.68 -54.86 40.16 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 128.169 2.588 . . . . 0.0 113.527 169.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -76.63 -39.89 50.95 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 121.787 0.803 . . . . 0.0 111.313 -174.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -67.52 -45.37 75.98 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-O 121.794 0.807 . . . . 0.0 110.07 174.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -55.14 -39.89 72.29 Favored Glycine 0 C--O 1.21 -1.405 0 CA-C-O 122.902 1.279 . . . . 0.0 113.444 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.01 -15.77 57.79 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 119.368 -2.254 . . . . 0.0 113.861 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.92 -19.2 18.98 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 125.156 1.382 . . . . 0.0 113.867 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 71.8 t -114.19 -36.45 2.34 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.647 0 C-N-CA 124.928 1.291 . . . . 0.0 111.976 -170.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.8 mt -101.48 -47.55 4.63 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.811 1.244 . . . . 0.0 111.213 -175.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--O 1.253 1.266 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 -176.582 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . 0.279 0.0 OUTLIER . . . . . 0 N--CA 1.529 3.518 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 48.9 t -48.17 146.46 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 127.108 2.163 . . . . 0.0 113.348 -176.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.06 -45.72 8.54 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.656 1.582 . . . . 0.0 113.168 -172.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 26.9 m -75.15 -16.64 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.154 1.382 . . . . 0.0 113.881 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -155.69 145.3 21.14 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 125.549 1.54 . . . . 0.0 110.293 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -139.06 -53.9 0.58 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.218 1.407 . . . . 0.0 110.874 174.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -69.59 127.75 34.08 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.345 1.058 . . . . 0.0 113.03 -173.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 11.9 tp 58.67 32.51 22.26 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.518 1.927 . . . . 0.0 111.653 -171.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.62 -88.54 0.4 Allowed 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 124.589 1.156 . . . . 0.0 112.598 -166.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -116.52 -46.17 2.78 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 124.795 1.238 . . . . 0.0 111.347 -170.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -18.03 22.41 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.434 -1.417 . . . . 0.0 113.577 172.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.0 m -57.4 -57.4 12.84 Favored 'General case' 0 C--O 1.214 -0.788 0 C-N-CA 127.852 2.461 . . . . 0.0 113.138 167.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -76.59 -40.47 49.47 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 121.281 -0.887 . . . . 0.0 111.783 -174.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -65.86 -46.79 77.15 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-O 122.363 1.078 . . . . 0.0 110.389 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.45 -40.38 92.1 Favored Glycine 0 C--O 1.208 -1.498 0 O-C-N 120.814 -1.179 . . . . 0.0 113.467 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.43 -17.33 54.52 Favored 'General case' 0 C--O 1.216 -0.676 0 O-C-N 119.792 -2.004 . . . . 0.0 113.834 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.31 -19.65 19.8 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 125.386 1.474 . . . . 0.0 113.769 174.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 80.5 t -113.79 -37.48 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.914 1.285 . . . . 0.0 111.935 -170.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mt -101.46 -48.35 4.38 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 124.987 1.315 . . . . 0.0 111.06 -174.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 38.4 t80 . . . . . 0 C--O 1.254 1.303 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -173.468 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.497 HD13 ' H ' ' A' ' 533' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.537 3.89 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.497 ' H ' HD13 ' A' ' 532' ' ' LEU . 98.8 t -62.04 143.65 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-O 123.08 1.419 . . . . 0.0 110.196 173.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.35 -45.31 63.22 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -165.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.36 -6.27 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -171.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -153.52 113.7 3.95 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 120.988 -1.07 . . . . 0.0 110.088 -173.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -126.76 -54.44 1.42 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.916 1.286 . . . . 0.0 110.587 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -64.54 119.81 11.15 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 126.275 1.83 . . . . 0.0 112.527 -173.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 11.5 tp 59.41 31.86 21.38 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.248 1.819 . . . . 0.0 112.038 -176.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.8 -60.51 0.59 Allowed 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -163.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -135.74 -50.12 0.71 Allowed 'General case' 0 C--O 1.212 -0.902 0 C-N-CA 123.693 0.797 . . . . 0.0 111.719 -172.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -15.15 31.89 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 120.446 -1.408 . . . . 0.0 113.832 174.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 53.8 m -55.87 -58.59 7.21 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 128.222 2.609 . . . . 0.0 113.603 163.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.01 -40.31 31.79 Favored 'General case' 0 C--O 1.216 -0.674 0 O-C-N 121.137 -0.977 . . . . 0.0 111.789 -173.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -65.72 -44.52 85.79 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-O 121.954 0.883 . . . . 0.0 110.165 174.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -58.39 -39.95 93.51 Favored Glycine 0 C--O 1.208 -1.53 0 CA-C-O 123.064 1.369 . . . . 0.0 113.557 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -77.79 -15.24 59.24 Favored 'General case' 0 C--O 1.214 -0.797 0 O-C-N 119.533 -2.157 . . . . 0.0 113.961 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.16 -19.39 18.67 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 125.283 1.433 . . . . 0.0 114.204 172.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 75.6 t -114.89 -36.2 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.473 1.109 . . . . 0.0 111.759 -169.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.4 mt -101.22 -48.74 4.29 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 125.268 1.427 . . . . 0.0 110.482 -175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 48.8 t80 . . . . . 0 C--O 1.254 1.32 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -176.572 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.499 HD13 ' H ' ' A' ' 533' ' ' VAL . 0.2 OUTLIER . . . . . 1 N--CA 1.539 4.016 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.499 ' H ' HD13 ' A' ' 532' ' ' LEU . 88.7 t -62.59 145.57 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-O 123.078 1.418 . . . . 0.0 109.993 174.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -73.2 -55.98 5.71 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 124.831 1.252 . . . . 0.0 111.978 -167.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 34.7 m -90.66 -11.13 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -170.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -149.7 129.95 13.7 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 124.491 1.116 . . . . 0.0 109.798 -175.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -133.84 -54.9 0.88 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.134 1.373 . . . . 0.0 110.408 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -60.29 125.25 22.98 Favored 'General case' 0 C--O 1.218 -0.569 0 C-N-CA 125.302 1.441 . . . . 0.0 112.715 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 72.6 mt 57.62 34.03 24.0 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.215 1.806 . . . . 0.0 112.197 -174.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.7 -91.03 0.42 Allowed 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 125.553 1.541 . . . . 0.0 112.524 -169.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -114.79 -46.79 2.92 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 125.017 1.327 . . . . 0.0 111.402 -170.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -17.54 25.61 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 120.71 -1.244 . . . . 0.0 113.052 174.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 37.0 m -59.82 -55.08 38.68 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 128.077 2.551 . . . . 0.0 113.626 168.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -78.7 -40.75 32.92 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.717 0.77 . . . . 0.0 111.348 -174.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -67.89 -46.58 71.22 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 122.131 0.967 . . . . 0.0 110.378 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.96 -39.72 92.23 Favored Glycine 0 C--O 1.21 -1.375 0 O-C-N 120.831 -1.168 . . . . 0.0 113.587 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.36 -16.67 55.9 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 119.825 -1.985 . . . . 0.0 113.52 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.06 -18.91 19.84 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.567 1.547 . . . . 0.0 113.92 173.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 75.6 t -114.88 -36.01 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.732 1.213 . . . . 0.0 112.098 -170.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.0 -48.85 4.11 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 124.895 1.278 . . . . 0.0 111.113 -174.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 43.4 t80 . . . . . 0 C--O 1.254 1.311 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -173.666 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.537 3.91 0 N-CA-C 111.517 0.191 . . . . 0.0 111.517 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 49.8 t -60.64 143.33 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-O 123.04 1.4 . . . . 0.0 111.902 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -88.57 -49.61 6.79 Favored 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 125.444 1.498 . . . . 0.0 111.668 -170.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 28.0 m -70.06 -19.68 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -154.65 118.82 4.72 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 124.461 1.104 . . . . 0.0 111.013 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.53 -51.85 2.67 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 124.965 1.306 . . . . 0.0 111.064 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -82.26 133.26 35.24 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 125.759 1.624 . . . . 0.0 114.041 -170.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 13.0 tp 56.47 37.95 29.25 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.68 1.592 . . . . 0.0 110.875 -170.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -148.77 -75.27 0.17 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.054 1.342 . . . . 0.0 112.667 -164.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -126.78 -53.46 1.43 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.97 0.908 . . . . 0.0 112.285 -165.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -16.75 40.48 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-O 122.724 1.249 . . . . 0.0 113.086 173.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 63.8 m -56.23 -61.93 2.06 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 128.31 2.644 . . . . 0.0 112.93 165.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.12 -41.29 64.15 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.351 -0.843 . . . . 0.0 111.989 -174.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -67.38 -44.4 79.01 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 122.403 1.097 . . . . 0.0 110.338 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.81 -41.11 90.67 Favored Glycine 0 C--O 1.208 -1.472 0 O-C-N 120.526 -1.359 . . . . 0.0 112.874 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.61 -17.17 56.46 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 119.271 -2.311 . . . . 0.0 113.96 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -94.93 -19.74 19.99 Favored 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 125.183 1.393 . . . . 0.0 114.01 173.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 82.3 t -113.72 -37.12 2.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 C-N-CA 124.64 1.176 . . . . 0.0 111.962 -170.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mt -100.59 -48.44 4.52 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 124.963 1.305 . . . . 0.0 111.295 -174.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 C--O 1.252 1.204 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -174.237 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.418 HD23 ' H ' ' A' ' 533' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.538 3.943 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.418 ' H ' HD23 ' A' ' 532' ' ' LEU . 73.8 t -136.98 149.99 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 126.698 1.999 . . . . 0.0 108.806 -175.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -78.49 -55.42 5.23 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.697 1.199 . . . . 0.0 111.878 -172.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 34.6 m -79.89 -14.64 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -170.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -151.23 142.78 23.57 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 125.182 1.393 . . . . 0.0 109.84 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -139.02 -50.92 0.53 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.149 1.38 . . . . 0.0 109.789 176.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -55.15 123.54 14.02 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.041 1.737 . . . . 0.0 112.578 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 53.8 mt 58.79 27.01 15.46 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.919 1.688 . . . . 0.0 112.961 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.22 -82.0 0.62 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.558 1.543 . . . . 0.0 112.643 -165.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -122.1 -47.41 2.15 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 124.835 1.254 . . . . 0.0 111.465 -170.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -18.07 15.75 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.256 -1.528 . . . . 0.0 113.352 172.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 27.6 m -57.87 -58.71 7.21 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 128.079 2.551 . . . . 0.0 113.12 166.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -74.14 -40.69 62.45 Favored 'General case' 0 C--O 1.216 -0.691 0 O-C-N 121.328 -0.857 . . . . 0.0 111.567 -174.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -66.36 -46.31 77.17 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-O 122.078 0.942 . . . . 0.0 110.095 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.73 -40.71 89.33 Favored Glycine 0 C--O 1.213 -1.184 0 CA-C-O 123.042 1.357 . . . . 0.0 113.607 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.87 -14.74 58.43 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 119.979 -1.894 . . . . 0.0 113.84 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.1 -19.91 18.36 Favored 'General case' 0 C--O 1.215 -0.752 0 C-N-CA 125.61 1.564 . . . . 0.0 113.984 172.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 74.9 t -114.72 -35.44 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.606 1.162 . . . . 0.0 112.33 -170.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.31 -49.18 4.14 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 124.929 1.291 . . . . 0.0 111.024 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 42.1 t80 . . . . . 0 C--O 1.252 1.2 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -174.795 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.46 HD13 ' H ' ' A' ' 533' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.539 3.987 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.46 ' H ' HD13 ' A' ' 532' ' ' LEU . 46.7 t -60.33 143.99 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-O 122.545 1.164 . . . . 0.0 110.162 168.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -85.86 -47.75 9.39 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.153 0.981 . . . . 0.0 112.293 -167.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 34.9 m -82.91 -14.78 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -173.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -156.3 116.31 3.62 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 120.918 -1.114 . . . . 0.0 110.329 -175.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -120.66 -50.13 2.21 Favored 'General case' 0 C--O 1.214 -0.769 0 C-N-CA 125.264 1.425 . . . . 0.0 110.855 176.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -58.74 122.62 13.97 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.736 1.615 . . . . 0.0 112.016 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 9.5 mp 54.93 39.37 31.52 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.027 1.731 . . . . 0.0 111.494 -174.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.05 -94.82 0.33 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.945 1.298 . . . . 0.0 112.349 -172.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -110.01 -45.18 3.65 Favored 'General case' 0 C--O 1.212 -0.914 0 C-N-CA 125.229 1.412 . . . . 0.0 111.488 -171.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -16.85 15.22 Favored 'General case' 0 C--O 1.209 -1.026 0 O-C-N 120.612 -1.305 . . . . 0.0 112.974 174.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 30.2 m -61.89 -57.29 12.33 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 128.036 2.535 . . . . 0.0 112.501 169.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -76.79 -40.38 48.33 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 121.358 -0.839 . . . . 0.0 111.839 -173.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -69.95 -47.32 62.81 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-O 122.331 1.063 . . . . 0.0 110.21 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -60.03 -38.59 94.49 Favored Glycine 0 C--O 1.208 -1.498 0 O-C-N 120.863 -1.148 . . . . 0.0 113.434 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.7 -15.6 58.27 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 119.995 -1.885 . . . . 0.0 113.712 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.71 -19.86 18.66 Favored 'General case' 0 C--O 1.214 -0.804 0 C-N-CA 125.231 1.412 . . . . 0.0 114.226 172.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 73.3 t -113.42 -36.2 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.711 1.204 . . . . 0.0 112.17 -170.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.93 -48.37 4.28 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 125.288 1.435 . . . . 0.0 111.424 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 39.4 t80 . . . . . 0 C--O 1.253 1.276 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -175.89 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 N--CA 1.533 3.72 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 88.7 t -144.96 146.47 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 127.787 2.435 . . . . 0.0 107.865 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -71.87 -59.83 2.55 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 124.213 1.005 . . . . 0.0 112.733 -166.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 33.1 m -91.9 -5.39 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.457 1.503 . . . . 0.0 114.648 -170.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -144.72 138.19 27.05 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 125.678 1.591 . . . . 0.0 110.196 -173.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.06 -65.35 0.21 Allowed 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 125.06 1.344 . . . . 0.0 111.983 173.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -77.24 128.73 34.87 Favored 'General case' 0 C--O 1.215 -0.743 0 C-N-CA 125.256 1.422 . . . . 0.0 114.059 -173.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 56.7 mt 57.58 31.34 20.19 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.001 1.721 . . . . 0.0 111.709 -170.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -140.77 -69.31 0.39 Allowed 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 124.548 1.139 . . . . 0.0 113.678 -163.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -131.11 -54.85 1.04 Allowed 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 123.799 0.84 . . . . 0.0 111.216 -163.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -15.19 35.39 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 120.398 -1.439 . . . . 0.0 113.229 173.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 58.7 m -58.92 -60.0 4.56 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 128.454 2.701 . . . . 0.0 113.054 165.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -73.83 -41.12 62.75 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 121.288 -0.883 . . . . 0.0 111.529 -173.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -69.58 -45.97 67.42 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-O 122.164 0.983 . . . . 0.0 109.994 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.51 -40.98 88.16 Favored Glycine 0 C--O 1.211 -1.289 0 CA-C-O 123.12 1.4 . . . . 0.0 113.476 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.05 -16.1 57.29 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 119.604 -2.115 . . . . 0.0 113.946 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.11 -20.36 18.7 Favored 'General case' 0 C--O 1.216 -0.665 0 C-N-CA 125.448 1.499 . . . . 0.0 114.149 172.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 79.5 t -112.8 -36.61 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.836 1.254 . . . . 0.0 111.97 -171.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mt -101.04 -48.56 4.39 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 124.754 1.222 . . . . 0.0 110.978 -174.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 45.3 t80 . . . . . 0 C--O 1.254 1.297 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -175.3 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 1 N--CA 1.539 4.022 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.46 142.88 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 C-N-CA 125.477 1.511 . . . . 0.0 112.565 -171.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -87.4 -49.94 6.89 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.785 1.234 . . . . 0.0 112.113 -171.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 29.2 m -71.98 -19.13 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -175.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -153.85 118.79 5.03 Favored 'General case' 0 C--O 1.216 -0.697 0 C-N-CA 124.607 1.163 . . . . 0.0 110.925 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -119.3 -52.58 2.27 Favored 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 125.676 1.59 . . . . 0.0 110.372 177.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -59.4 124.91 21.58 Favored 'General case' 0 C--O 1.215 -0.76 0 C-N-CA 125.377 1.471 . . . . 0.0 112.889 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 51.4 mt 62.54 20.82 12.23 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.88 2.072 . . . . 0.0 113.288 -177.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.89 -69.31 0.78 Allowed 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 125.465 1.506 . . . . 0.0 113.096 -167.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -131.82 -52.0 0.98 Allowed 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 124.138 0.975 . . . . 0.0 112.536 -166.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -16.73 16.59 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 123.141 1.448 . . . . 0.0 113.184 172.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 30.7 m -61.93 -58.33 8.31 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 128.772 2.829 . . . . 0.0 112.55 169.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -74.1 -40.67 62.54 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 122.085 0.945 . . . . 0.0 111.591 -173.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -72.26 -49.1 37.55 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 122.341 1.067 . . . . 0.0 110.584 177.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -62.97 -34.42 89.89 Favored Glycine 0 C--O 1.208 -1.509 0 O-C-N 120.781 -1.199 . . . . 0.0 113.817 -174.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -77.35 -15.94 59.15 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 119.647 -2.09 . . . . 0.0 113.363 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.97 -15.51 20.07 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 125.681 1.592 . . . . 0.0 114.086 172.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 70.5 t -117.48 -34.92 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.564 1.145 . . . . 0.0 112.234 -170.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.11 -48.89 3.75 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 125.438 1.495 . . . . 0.0 111.05 -175.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 39.0 t80 . . . . . 0 C--O 1.254 1.336 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -172.19 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.537 3.898 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.79 144.26 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-O 122.978 1.371 . . . . 0.0 111.529 -176.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.58 -50.19 6.43 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 124.908 1.283 . . . . 0.0 112.212 -171.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 35.7 m -71.68 -18.07 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -175.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -154.62 122.44 5.85 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 124.576 1.151 . . . . 0.0 110.751 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.09 -51.94 2.32 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.557 1.543 . . . . 0.0 110.001 177.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.43 124.12 17.86 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.821 2.048 . . . . 0.0 112.125 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 64.1 mt 57.23 35.81 26.62 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.244 1.818 . . . . 0.0 111.939 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.98 -91.08 0.38 Allowed 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 124.521 1.128 . . . . 0.0 112.615 -167.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -113.39 -44.87 3.18 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 125.263 1.425 . . . . 0.0 111.1 -171.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -17.72 34.49 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 119.956 -1.715 . . . . 0.0 112.649 174.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.0 m -54.54 -59.29 4.9 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 128.097 2.559 . . . . 0.0 113.094 164.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.14 -41.99 48.2 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 122.137 0.97 . . . . 0.0 111.444 -172.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -66.93 -46.71 73.93 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 121.269 -0.894 . . . . 0.0 110.025 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -59.17 -41.03 96.47 Favored Glycine 0 C--O 1.209 -1.412 0 O-C-N 120.778 -1.201 . . . . 0.0 113.728 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -78.69 -16.15 57.63 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 119.784 -2.01 . . . . 0.0 113.289 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -96.07 -18.63 20.04 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 124.644 1.178 . . . . 0.0 113.672 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 73.3 t -115.24 -35.88 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.322 1.049 . . . . 0.0 111.954 -170.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -101.58 -48.55 4.29 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 124.835 1.254 . . . . 0.0 110.946 -174.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 C--O 1.252 1.186 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 -174.187 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 1 N--CA 1.54 4.054 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 79.2 t -69.02 152.07 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.337 1.455 . . . . 0.0 110.256 176.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -81.21 -42.13 21.25 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.163 1.385 . . . . 0.0 113.189 -167.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 35.8 m -88.55 -15.98 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.508 1.523 . . . . 0.0 114.406 -176.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -159.26 151.21 20.77 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.547 1.139 . . . . 0.0 111.471 -173.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -137.35 -55.37 0.7 Allowed 'General case' 0 C--O 1.212 -0.905 0 C-N-CA 125.919 1.688 . . . . 0.0 109.829 169.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -59.93 125.59 24.24 Favored 'General case' 0 C--O 1.216 -0.705 0 C-N-CA 125.835 1.654 . . . . 0.0 112.956 -175.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 12.6 tp 54.76 37.41 28.37 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.298 1.839 . . . . 0.0 112.267 -175.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.86 -91.11 0.36 Allowed 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 124.785 1.234 . . . . 0.0 112.103 -168.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -112.94 -43.76 3.37 Favored 'General case' 0 C--O 1.214 -0.791 0 C-N-CA 125.095 1.358 . . . . 0.0 111.482 -172.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -17.76 41.02 Favored 'General case' 0 C--O 1.21 -1.015 0 O-C-N 120.296 -1.503 . . . . 0.0 112.797 175.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 28.3 m -58.08 -55.46 34.69 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 128.052 2.541 . . . . 0.0 113.114 166.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -78.42 -41.98 31.41 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.757 0.789 . . . . 0.0 111.771 -174.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -65.53 -45.14 84.6 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-O 122.079 0.942 . . . . 0.0 110.005 175.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.93 -40.22 92.89 Favored Glycine 0 C--O 1.211 -1.31 0 CA-C-O 122.934 1.297 . . . . 0.0 113.615 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -77.76 -15.82 58.85 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 119.431 -2.217 . . . . 0.0 114.035 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -97.65 -17.44 19.47 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 125.158 1.383 . . . . 0.0 114.231 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 73.7 t -116.0 -36.06 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.563 1.145 . . . . 0.0 112.04 -170.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.6 mt -101.18 -48.81 4.28 Favored 'General case' 0 C--O 1.216 -0.69 0 C-N-CA 124.83 1.252 . . . . 0.0 110.776 -175.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 49.9 t80 . . . . . 0 C--O 1.257 1.495 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -176.702 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.535 3.782 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.27 144.64 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-O 123.046 1.403 . . . . 0.0 109.377 167.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -79.4 -53.94 6.42 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.426 1.09 . . . . 0.0 111.397 -166.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 33.9 m -87.9 -13.15 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.275 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -170.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -150.9 126.39 10.13 Favored 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 123.919 0.888 . . . . 0.0 110.207 -176.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -126.73 -49.24 1.5 Allowed 'General case' 0 C--O 1.215 -0.711 0 C-N-CA 125.353 1.461 . . . . 0.0 109.607 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -56.35 123.09 13.46 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.181 1.792 . . . . 0.0 112.205 176.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 59.94 33.68 21.5 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.027 1.731 . . . . 0.0 111.966 -176.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.91 -90.94 0.36 Allowed 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 124.97 1.308 . . . . 0.0 112.344 -167.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -110.51 -49.47 3.05 Favored 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 124.965 1.306 . . . . 0.0 111.248 -171.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -16.96 26.24 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 123.045 1.402 . . . . 0.0 112.793 176.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 33.1 m -59.69 -55.31 35.91 Favored 'General case' 0 C--O 1.218 -0.563 0 C-N-CA 127.603 2.361 . . . . 0.0 113.184 168.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -77.27 -40.57 44.2 Favored 'General case' 0 C--O 1.217 -0.609 0 O-C-N 121.121 -0.987 . . . . 0.0 111.831 -174.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -68.34 -47.73 66.71 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-O 122.672 1.225 . . . . 0.0 110.292 176.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -59.37 -38.65 93.7 Favored Glycine 0 C--O 1.212 -1.224 0 CA-C-O 122.657 1.143 . . . . 0.0 113.827 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.14 -18.96 52.2 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 119.531 -2.158 . . . . 0.0 113.423 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -93.94 -18.76 21.58 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 124.983 1.313 . . . . 0.0 113.862 174.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 80.8 t -115.35 -35.59 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.591 1.157 . . . . 0.0 112.66 -170.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.4 mt -103.27 -49.3 3.76 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.727 1.211 . . . . 0.0 111.197 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 30.8 t80 . . . . . 0 C--O 1.253 1.282 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -170.804 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.53 HD13 ' H ' ' A' ' 533' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.535 3.776 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.53 ' H ' HD13 ' A' ' 532' ' ' LEU . 17.6 t -64.04 141.69 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 126.101 1.76 . . . . 0.0 110.864 -178.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 27.52 0.09 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.947 2.203 . . . . 0.0 116.947 -174.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 3.3 p -178.41 -49.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 128.191 2.596 . . . . 0.0 111.045 -178.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -93.83 72.15 4.16 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 123.911 1.815 . . . . 0.0 111.292 -171.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.22 -64.54 1.04 Allowed 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.373 171.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -68.65 124.28 23.18 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.545 1.138 . . . . 0.0 113.495 -168.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 60.04 28.88 18.47 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.48 1.912 . . . . 0.0 111.796 -173.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.47 -86.21 0.43 Allowed 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 124.8 1.24 . . . . 0.0 112.363 -164.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -112.49 -48.84 2.99 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 124.453 1.101 . . . . 0.0 110.255 -169.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -15.66 31.59 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.496 -1.377 . . . . 0.0 113.648 176.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 28.9 m -63.09 -56.79 13.85 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 127.539 2.336 . . . . 0.0 112.234 168.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -77.0 -40.8 45.31 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 121.876 0.845 . . . . 0.0 111.796 -173.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -68.91 -46.12 69.12 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-O 122.203 1.001 . . . . 0.0 110.439 176.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.96 -39.89 92.48 Favored Glycine 0 C--O 1.208 -1.475 0 CA-C-O 122.863 1.257 . . . . 0.0 114.054 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.88 -17.22 53.69 Favored 'General case' 0 C--O 1.217 -0.632 0 O-C-N 119.919 -1.93 . . . . 0.0 113.669 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -94.83 -20.06 19.78 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 125.331 1.452 . . . . 0.0 113.724 173.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 82.8 t -114.74 -36.34 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.333 1.053 . . . . 0.0 112.34 -170.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.3 mt -100.72 -49.27 4.22 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 124.522 1.129 . . . . 0.0 111.399 -175.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--O 1.253 1.269 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -172.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.537 3.883 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 88.9 t -152.11 148.95 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 128.132 2.573 . . . . 0.0 106.963 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.33 -29.84 10.98 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -174.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 65.8 t -71.81 -30.7 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.992 1.317 . . . . 0.0 111.455 177.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -151.42 158.6 43.91 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 126.0 1.72 . . . . 0.0 110.494 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.88 -57.07 0.05 OUTLIER 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 126.298 1.839 . . . . 0.0 112.152 173.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.74 122.36 12.65 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.493 1.517 . . . . 0.0 112.636 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 64.43 18.28 11.26 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.053 2.141 . . . . 0.0 112.588 -175.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.06 -90.49 0.57 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.341 1.456 . . . . 0.0 112.716 -165.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -109.64 -52.9 2.72 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.395 1.478 . . . . 0.0 110.195 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -18.9 35.31 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.78 -1.2 . . . . 0.0 113.484 177.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 14.4 m -63.18 -55.35 25.83 Favored 'General case' 0 C--O 1.218 -0.559 0 C-N-CA 127.676 2.39 . . . . 0.0 112.564 170.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -74.91 -40.82 60.65 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-O 121.631 0.729 . . . . 0.0 111.562 -174.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -67.58 -46.18 73.41 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 122.113 0.958 . . . . 0.0 110.374 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -54.98 -40.51 73.5 Favored Glycine 0 C--O 1.208 -1.494 0 CA-C-O 122.509 1.061 . . . . 0.0 113.868 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -80.95 -19.92 43.12 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 119.645 -2.091 . . . . 0.0 113.629 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -92.97 -19.69 21.35 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 125.21 1.404 . . . . 0.0 113.516 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 99.4 t -113.75 -37.31 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.916 1.287 . . . . 0.0 112.533 -172.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.1 mt -101.54 -48.81 4.21 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 122.177 0.989 . . . . 0.0 111.372 -173.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 23.9 t80 . . . . . 0 C--O 1.254 1.312 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -172.339 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 1 N--CA 1.541 4.09 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 51.6 t -58.1 145.28 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 125.828 1.651 . . . . 0.0 111.422 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -90.45 -43.66 10.13 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 125.272 1.429 . . . . 0.0 112.417 -168.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 87.0 t -75.45 -36.68 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 125.18 1.392 . . . . 0.0 112.233 -176.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -135.13 135.61 41.27 Favored 'General case' 0 C--O 1.217 -0.617 0 C-N-CA 125.385 1.474 . . . . 0.0 110.04 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -131.79 -53.68 1.0 Allowed 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 124.746 1.218 . . . . 0.0 109.892 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -55.76 123.03 12.8 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 126.434 1.893 . . . . 0.0 112.137 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 60.2 mt 57.81 31.65 20.8 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.241 1.816 . . . . 0.0 112.735 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.31 -86.65 0.56 Allowed 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 124.666 1.187 . . . . 0.0 112.18 -167.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -116.99 -44.47 2.81 Favored 'General case' 0 C--O 1.212 -0.895 0 C-N-CA 125.525 1.53 . . . . 0.0 111.673 -172.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -17.36 35.23 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 120.047 -1.658 . . . . 0.0 112.843 174.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 32.4 m -57.86 -57.89 10.81 Favored 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 128.098 2.559 . . . . 0.0 113.428 165.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.96 -41.04 52.64 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.261 -0.899 . . . . 0.0 112.049 -174.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -67.59 -44.77 77.34 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 121.86 0.838 . . . . 0.0 110.462 176.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -56.95 -41.29 91.95 Favored Glycine 0 C--O 1.211 -1.325 0 CA-C-O 123.031 1.35 . . . . 0.0 113.673 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -80.27 -15.99 55.71 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 119.737 -2.037 . . . . 0.0 113.092 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.16 -20.12 19.51 Favored 'General case' 0 C--O 1.217 -0.616 0 C-N-CA 125.146 1.378 . . . . 0.0 114.303 172.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 76.1 t -113.79 -36.88 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.268 1.027 . . . . 0.0 112.126 -170.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.36 -48.24 4.65 Favored 'General case' 0 C--O 1.213 -0.835 0 C-N-CA 124.548 1.139 . . . . 0.0 110.866 -174.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 44.4 t80 . . . . . 0 C--O 1.254 1.34 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -174.586 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . 0.563 HD13 ' H ' ' A' ' 533' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.539 3.995 0 CA-C-O 121.064 0.459 . . . . 0.0 112.087 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.563 ' H ' HD13 ' A' ' 532' ' ' LEU . 54.2 t -54.42 147.29 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-O 123.04 1.4 . . . . 0.0 111.302 174.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -90.47 -47.81 7.49 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 124.853 1.261 . . . . 0.0 111.943 -170.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.05 -18.04 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -177.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -154.53 149.91 27.22 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 125.758 1.623 . . . . 0.0 110.689 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.17 -56.66 0.08 Allowed 'General case' 0 C--O 1.214 -0.799 0 C-N-CA 125.473 1.509 . . . . 0.0 112.399 173.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -58.14 120.88 9.41 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.442 1.897 . . . . 0.0 112.549 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 11.3 tp 57.71 29.22 17.01 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.053 1.741 . . . . 0.0 112.879 -175.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.48 -79.34 0.52 Allowed 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 125.445 1.498 . . . . 0.0 112.758 -165.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -118.03 -52.38 2.42 Favored 'General case' 0 C--O 1.213 -0.822 0 C-N-CA 124.442 1.097 . . . . 0.0 110.779 -167.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -17.05 41.31 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 122.802 1.286 . . . . 0.0 113.142 176.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.8 m -59.15 -57.62 12.24 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 127.608 2.363 . . . . 0.0 113.191 166.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -77.19 -41.17 42.55 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 121.247 -0.908 . . . . 0.0 111.787 -173.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -66.4 -45.2 80.76 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-O 122.003 0.906 . . . . 0.0 109.869 175.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -57.03 -40.74 91.8 Favored Glycine 0 C--O 1.21 -1.361 0 CA-C-O 122.984 1.324 . . . . 0.0 113.231 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -79.25 -18.02 53.61 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 119.483 -2.187 . . . . 0.0 113.884 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -95.25 -18.89 20.47 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.134 1.374 . . . . 0.0 113.961 175.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.06 -36.65 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.761 1.224 . . . . 0.0 112.457 -172.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 8.8 mt -101.45 -48.03 4.48 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 124.215 1.006 . . . . 0.0 111.439 -174.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 41.4 t80 . . . . . 0 C--O 1.251 1.184 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -173.462 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 3.9 pp . . . . . 0 N--CA 1.537 3.89 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 64.6 t -57.28 134.02 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.623 1.569 . . . . 0.0 111.894 -173.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.84 -37.11 19.54 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.709 -1.132 . . . . 0.0 113.919 -171.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' VAL . . . . . . . . . . . . . 34.6 m -77.32 -17.57 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.609 1.164 . . . . 0.0 113.916 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' ALA . . . . . . . . . . . . . . . -157.61 112.1 2.65 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 124.553 1.141 . . . . 0.0 110.86 -173.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.64 -54.79 2.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.802 1.641 . . . . 0.0 111.176 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -65.94 122.46 17.41 Favored 'General case' 0 C--O 1.218 -0.595 0 C-N-CA 126.034 1.733 . . . . 0.0 112.815 -175.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 8.2 tp 65.03 20.09 12.0 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.544 1.938 . . . . 0.0 112.428 -174.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.79 -66.92 0.91 Allowed 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 125.296 1.438 . . . . 0.0 113.271 -168.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -129.99 -55.04 1.13 Allowed 'General case' 0 C--O 1.214 -0.768 0 C-N-CA 123.668 0.787 . . . . 0.0 112.015 -164.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -18.48 26.36 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 123.499 1.619 . . . . 0.0 113.229 174.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 39.4 m -61.99 -57.69 10.72 Favored 'General case' 0 C--O 1.219 -0.542 0 C-N-CA 128.445 2.698 . . . . 0.0 113.11 169.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.33 -40.99 61.84 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.187 -0.946 . . . . 0.0 111.557 -173.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.07 -48.67 51.23 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-O 122.428 1.109 . . . . 0.0 110.067 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' GLY . . . . . . . . . . . . . . . -55.93 -40.3 81.23 Favored Glycine 0 C--O 1.212 -1.241 0 CA-C-O 122.739 1.188 . . . . 0.0 114.166 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' ALA . . . . . . . . . . . . . . . -80.72 -17.84 49.74 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 119.82 -1.988 . . . . 0.0 113.587 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -94.91 -20.68 19.2 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 124.707 1.203 . . . . 0.0 113.033 175.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' VAL . . . . . . . . . . . . . 95.7 t -112.69 -36.61 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.423 1.089 . . . . 0.0 112.155 -171.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 9.0 mt -101.4 -48.05 4.48 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.257 1.023 . . . . 0.0 111.08 -174.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 36.9 t80 . . . . . 0 C--O 1.256 1.404 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -172.568 . . . . . . . . 0 0 . 1 stop_ save_